data_2m8w_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m8w _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.851 0.358 . . . . 99.99 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 93.5 mt -76.53 133.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.116 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.2 mt -93.42 -48.75 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 99.99 111.326 167.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -164.98 155.21 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.198 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.34 120.35 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.205 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -114.61 169.57 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.128 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.01 169.29 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.185 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.5 p -132.41 165.56 35.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.231 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 74.3 Cg_exo -53.95 -31.29 62.72 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.703 1.602 . . . . 99.99 111.209 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -102.4 110.11 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.175 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -69.5 -11.94 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 99.99 111.171 -168.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.16 -11.52 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.176 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -132.96 146.43 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.142 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -113.31 154.12 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.193 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -106.24 120.15 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.135 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -106.92 112.41 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.169 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.2 m -86.88 124.61 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.181 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.52 149.74 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.149 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.174 168.165 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.759 0.314 . . . . 99.99 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -76.53 152.19 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.153 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -167.2 160.01 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.187 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -127.11 129.96 48.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.165 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -125.5 129.62 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.276 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -122.68 -25.3 4.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.25 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.43 150.36 39.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.253 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.22 129.52 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.201 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -164.05 170.7 16.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.271 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.56 -19.55 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.269 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p -76.25 -15.16 60.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.161 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.546 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 19.8 mp0 -89.3 150.81 45.51 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.248 176.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -49.91 144.59 20.84 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.653 1.569 . . . . 99.99 111.167 167.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.06 -46.63 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.189 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -54.94 -47.39 74.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.15 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.82 -36.28 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.211 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.21 -48.56 72.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.171 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.71 -47.08 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.162 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.05 -43.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.25 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.57 -37.45 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.168 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -73.36 -23.26 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.246 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.82 123.98 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.161 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.56 125.14 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.224 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.33 -32.29 5.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.266 -0.734 . . . . 99.99 111.266 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.97 125.03 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 99.99 111.227 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -96.72 -56.85 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.225 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -148.47 154.07 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.178 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.1 mt -126.77 131.86 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.175 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -115.87 129.98 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.114 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -113.9 140.11 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.246 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.64 139.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.194 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttm 55.03 -106.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.224 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -136.3 33.29 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 99.99 111.126 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -150.54 156.51 41.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.208 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.53 134.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.255 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.0 t -101.43 111.3 23.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.133 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.48 115.19 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.184 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -110.38 132.98 53.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.124 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -119.53 169.81 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.16 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 154.96 36.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.165 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -57.74 -38.4 75.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.17 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 99.99 111.185 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.84 147.98 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.203 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -116.22 146.32 42.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 99.99 111.218 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -70.1 -24.84 63.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 99.99 111.149 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.04 -39.93 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.176 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.4 m -86.55 -50.42 6.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 99.99 111.228 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.88 -50.7 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.252 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 39.0 tp -64.6 -45.56 76.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.26 -162.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 86.6 Cg_exo -49.79 -42.94 42.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.683 1.589 . . . . 99.99 111.179 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.73 -45.08 76.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.271 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.11 -49.64 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.28 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -43.18 76.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.193 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.04 75.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.181 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.55 -50.96 46.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.127 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -65.17 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.233 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.143 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.787 0.327 . . . . 99.99 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.99 130.16 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 99.99 111.207 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.99 -42.59 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.172 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -161.25 137.43 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.16 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.54 112.89 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.19 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -100.07 153.46 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.13 -174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.52 166.2 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.163 169.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 30.1 p -134.79 164.77 41.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.17 -177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.7 Cg_exo -53.07 -33.51 63.67 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.776 1.651 . . . . 99.99 111.156 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -100.32 107.94 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.192 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -69.81 -10.06 57.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.224 -170.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.65 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.189 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -134.31 146.2 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.22 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.9 mmm -113.49 153.06 29.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.252 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.84 120.0 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.216 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.41 111.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.184 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.8 m -85.03 124.34 31.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.221 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.38 149.12 32.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 99.99 111.229 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.256 178.483 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.86 0.362 . . . . 99.99 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -64.93 143.63 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.173 -176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -157.78 152.03 24.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.239 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -117.11 128.76 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.221 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -125.04 105.27 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.191 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -118.14 -31.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.188 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.4 mttt -127.66 141.7 51.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.205 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.29 133.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.183 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -159.44 147.47 17.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.175 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.11 -29.99 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.202 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.8 p -69.98 -13.97 62.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 99.99 111.173 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 70.9 mt-30 -89.97 155.83 47.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.243 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.94 133.97 41.3 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.687 1.591 . . . . 99.99 111.129 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.91 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.246 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -55.43 -47.99 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.262 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mm -58.17 -39.8 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.241 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.29 -48.53 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.218 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.96 -47.04 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.173 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.65 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.178 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.45 -37.55 73.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.167 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.51 -22.97 59.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.163 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.05 122.83 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.2 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.81 126.3 27.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.147 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.68 -25.21 9.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.276 -0.729 . . . . 99.99 111.276 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.01 124.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 99.99 111.213 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -95.39 -59.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.2 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.8 p -149.96 148.9 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.199 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -124.96 139.99 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.206 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -126.26 122.61 36.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.194 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -101.97 129.06 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.162 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 128.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.243 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.2 mtp 59.63 -120.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.21 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -118.05 29.19 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.136 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -149.56 155.09 39.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.168 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -123.5 133.81 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.18 -172.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.6 t -100.24 112.32 24.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.405 . . . . 99.99 111.16 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.79 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.221 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.53 127.55 54.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.158 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -97.86 -179.95 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.235 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -84.46 159.97 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 99.99 111.246 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.66 -39.33 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.107 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.02 -40.3 75.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.115 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.68 158.77 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.231 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -123.55 147.6 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.124 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -70.07 -26.18 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.185 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.34 -34.9 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.176 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.0 m -82.7 -49.91 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.198 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.81 -50.27 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.253 -165.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.548 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 30.5 mt -61.75 -45.79 92.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.207 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 79.8 Cg_exo -46.62 -44.0 22.07 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.756 1.637 . . . . 99.99 111.157 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.7 -46.07 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.192 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -49.09 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.268 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.41 -44.11 72.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.218 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.95 77.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.242 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.5 -50.03 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.263 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -67.86 -30.68 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.177 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.282 -176.453 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 99.99 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.92 137.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.212 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 98.6 mt -96.09 -53.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.202 166.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -157.26 154.91 29.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.146 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.2 120.19 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.239 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -107.32 157.16 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.141 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.21 167.73 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.207 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 16.8 p -134.32 168.09 19.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.164 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.7 Cg_exo -54.06 -29.27 54.34 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.704 1.603 . . . . 99.99 111.131 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -98.5 110.04 22.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.174 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -51.48 -36.03 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.216 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -79.27 1.85 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.174 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -127.33 137.73 52.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.233 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.7 mmm -120.7 151.61 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.164 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -108.3 128.47 54.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.161 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -115.04 118.31 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.229 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.8 m -88.61 128.06 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.19 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.27 149.49 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.211 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.205 179.013 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.855 0.359 . . . . 99.99 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -74.98 149.19 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.193 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -159.28 155.72 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.288 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -121.27 131.22 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.156 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -127.37 110.99 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.206 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.2 p -120.74 -33.11 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.227 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.2 mttt -122.87 139.71 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.233 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -59.75 133.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.239 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -159.97 159.88 32.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.153 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -74.83 -22.41 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.166 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.1 p -69.49 -15.05 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.193 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 51.1 mt-30 -99.56 151.83 37.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.221 -175.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.08 138.85 35.46 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.558 . . . . 99.99 111.235 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.73 -45.1 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.231 173.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -55.06 -46.97 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.194 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.83 -38.08 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.184 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.1 -48.89 72.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.176 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -56.36 -47.13 79.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.183 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.425 HG23 HG23 ' A' ' 78' ' ' VAL . 93.6 mt -61.85 -44.13 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.174 -177.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -57.64 -36.99 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.27 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.88 -23.94 60.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.154 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.9 120.49 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.228 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.63 125.87 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.157 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -26.38 8.01 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.231 -0.747 . . . . 99.99 111.231 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.73 127.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 99.99 111.181 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.62 -58.86 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.258 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.4 p -154.46 157.82 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.177 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.82 139.42 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.232 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -127.76 129.98 47.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.197 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -119.35 120.9 38.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 p -138.97 140.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 99.99 111.179 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.5 mmm 49.0 -129.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.143 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -109.93 31.34 5.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.181 -170.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -148.31 154.71 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.156 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.1 mt -123.89 134.73 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.218 -176.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -99.29 115.51 29.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.212 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.29 123.34 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.171 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.28 145.57 49.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.253 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -105.96 179.96 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.206 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.31 160.4 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.219 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.81 -38.63 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 99.99 111.196 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.03 -40.57 78.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.224 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.83 160.24 20.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.257 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.66 151.26 48.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.204 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -69.99 -24.58 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.178 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.95 -40.42 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.175 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -86.59 -50.28 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 99.99 111.247 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.48 -49.53 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.196 -166.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 48.0 tp -63.38 -45.7 84.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 99.99 111.248 -162.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.7 Cg_exo -49.97 -42.67 44.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.741 1.627 . . . . 99.99 111.184 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.2 -45.5 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.199 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 45' ' ' ILE . 70.8 t -56.51 -49.3 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.211 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.26 -43.26 74.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.252 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.93 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.157 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -55.37 -49.75 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.167 -172.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.63 -21.45 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.107 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 99.99 111.21 -175.492 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 pttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.934 0.397 . . . . 99.99 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.91 131.65 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.262 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.21 -44.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.192 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -162.65 139.85 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.298 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.6 mt -110.44 129.95 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.185 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -117.9 156.38 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.159 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.14 166.99 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.216 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.8 p -132.64 167.29 23.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 99.99 111.214 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.8 Cg_exo -53.97 -31.74 65.02 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.762 1.641 . . . . 99.99 111.152 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -96.24 109.89 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.279 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -70.21 -10.02 57.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.159 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -88.49 1.16 55.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.274 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -141.32 142.22 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.255 174.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.4 mtp -126.05 153.0 45.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.224 -175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.69 127.2 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.179 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.56 103.04 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.231 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -78.96 123.16 27.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.209 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.79 158.97 17.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.273 -174.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.161 175.294 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 99.99 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -73.36 154.83 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.201 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.75 157.87 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.184 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.3 m -120.04 126.92 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.157 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -125.33 104.9 8.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.227 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.1 p -121.84 -24.93 5.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.199 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.35 156.33 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.239 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.22 123.86 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.227 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -162.41 178.97 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.125 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.214 -172.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -72.97 -18.32 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.261 -171.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 13.9 mp0 -81.63 142.29 49.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 99.99 111.192 174.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.4 136.13 39.84 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.723 1.615 . . . . 99.99 111.245 172.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -43.34 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.248 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -57.63 -47.26 82.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.198 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.95 -35.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.205 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.84 -49.91 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.151 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.38 -47.86 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.183 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.55 -44.84 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.237 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.54 -37.9 73.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.159 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.51 -21.58 59.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.207 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.31 122.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.138 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.62 124.98 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.16 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -24.67 8.9 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 99.99 111.157 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.69 125.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 99.99 111.169 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.0 -58.38 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.143 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.2 p -150.69 151.79 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.221 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.9 mt -123.28 136.28 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 99.99 111.172 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -120.94 129.31 53.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.25 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.22 139.89 43.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.262 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.35 147.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.172 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.2 mmm 51.99 -131.52 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.187 -171.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -114.09 45.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.192 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -153.6 162.83 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.272 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.28 135.15 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.159 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -105.9 115.88 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.229 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -107.87 124.26 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.192 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -116.18 124.67 50.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.216 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -95.66 178.67 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.254 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.12 160.61 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.247 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.08 -39.19 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.17 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.96 -40.12 75.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.287 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 158.3 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.235 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.48 153.76 43.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 99.99 111.289 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -72.14 -20.6 61.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.234 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.75 -40.1 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.226 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -87.68 -51.23 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.18 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.53 -47.66 79.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.12 -167.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.4 tp -60.54 -52.96 69.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.249 -164.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.1 Cg_endo -61.98 -34.44 80.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.683 1.589 . . . . 99.99 111.163 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.33 -43.23 82.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.151 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.39 -45.13 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.121 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.72 -43.07 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.229 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.42 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.175 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.1 t -55.86 -49.47 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.233 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -74.99 -14.79 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.114 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.18 -179.458 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.82 0.343 . . . . 99.99 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.474 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 18.0 tt -69.89 147.27 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.218 -172.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -54.32 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.19 173.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -161.7 164.64 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.211 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.7 mt -123.01 121.69 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.165 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -109.27 164.9 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.175 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -89.98 168.76 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.249 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.8 p -134.57 166.32 30.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.245 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.8 Cg_exo -53.71 -32.61 66.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.691 1.594 . . . . 99.99 111.196 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -101.4 109.94 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 99.99 111.204 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -69.92 -10.8 59.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.237 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -78.14 -8.71 58.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.216 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -135.01 147.14 49.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.226 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mmm -118.59 154.98 31.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 99.99 111.185 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -106.24 127.15 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.141 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.42 123.78 69.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.159 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -99.83 121.8 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.255 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -110.42 150.25 29.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.203 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.146 171.046 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.829 0.347 . . . . 99.99 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -74.19 148.47 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.102 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.57 159.71 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 99.99 111.17 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -119.08 131.26 55.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.187 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -127.89 120.87 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.189 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.7 p -119.94 -40.48 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.181 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.88 153.85 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.264 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.49 133.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.264 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -156.46 159.96 39.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.262 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.93 -38.21 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.174 -173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -66.62 -19.24 65.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.204 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -85.82 149.97 52.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.241 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -50.45 131.15 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.723 1.615 . . . . 99.99 111.232 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.32 -37.62 48.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.186 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.238 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.45 -39.91 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 99.99 111.222 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.77 -43.07 94.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.252 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.21 -49.9 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 99.99 111.221 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.23 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.212 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.93 -37.29 71.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.159 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -72.81 -26.06 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.218 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.26 123.04 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.19 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.45 125.76 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.188 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.4 -25.69 8.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.175 -0.77 . . . . 99.99 111.175 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.76 124.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 99.99 111.223 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.97 -59.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.199 -175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -145.11 152.27 39.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.22 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.9 mt -128.22 135.84 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.203 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -118.71 127.94 54.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.158 169.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -119.86 117.64 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.234 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.91 139.99 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.19 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm 64.79 -124.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 99.99 111.214 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -121.19 30.94 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.182 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.64 155.14 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 99.99 111.173 175.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -125.65 134.96 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.213 -173.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 t -103.24 115.21 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.195 173.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.17 117.76 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.221 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.28 127.72 54.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.218 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -98.38 179.94 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.27 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.53 160.03 20.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.283 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.06 -39.41 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.127 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.92 -39.98 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.196 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.31 159.47 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 99.99 111.218 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -125.99 147.15 49.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.264 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -69.96 -25.14 63.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.272 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.55 -38.64 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.212 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -81.41 -50.03 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.233 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.83 -51.28 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.213 -164.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 34.7 mt -62.79 -45.43 87.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.196 -162.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 84.3 Cg_exo -46.89 -44.24 22.84 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.676 1.584 . . . . 99.99 111.258 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.62 -44.03 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.233 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.04 -51.35 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.212 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.7 -42.09 74.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.245 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.83 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.234 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -51.86 -47.89 39.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.164 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 67.1 m-85 -80.03 -30.54 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.202 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.316 -178.613 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 99.99 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.34 131.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.187 -166.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -99.44 -47.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.156 166.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -163.28 137.31 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.207 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.8 mt -110.58 133.08 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.223 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.4 p -138.92 160.83 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.118 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.49 169.63 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 99.99 111.129 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 43.1 p -124.81 164.54 30.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.159 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 52.3 Cg_exo -55.25 -29.57 67.64 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.716 1.611 . . . . 99.99 111.215 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.28 140.52 30.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.213 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -88.03 154.54 20.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.195 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 76.71 13.31 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.207 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 t -148.65 137.74 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.165 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mtp -130.11 158.65 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.199 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -112.29 128.69 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.206 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.9 122.95 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.22 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.4 m -91.66 123.09 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.221 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -115.04 154.81 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.237 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.251 178.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.827 0.346 . . . . 99.99 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.7 p -74.15 150.82 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.165 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -162.02 157.41 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.234 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m -119.18 135.25 54.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.254 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -122.79 109.24 13.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.172 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.8 p -118.74 -29.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.215 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.23 164.21 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.196 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -86.67 125.54 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.215 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -144.86 160.0 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.128 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -72.12 -31.35 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.216 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -66.49 -15.61 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.257 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -90.11 150.18 42.88 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.165 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.96 137.91 52.54 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.647 1.565 . . . . 99.99 111.175 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.13 54.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.223 171.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -53.69 -45.91 70.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.208 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.21 -40.25 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.225 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.36 -48.31 76.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.216 -173.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.04 -48.15 76.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.247 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.89 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.16 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 mt -54.1 -40.19 67.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.16 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.65 -18.43 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.211 -175.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.82 123.88 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.212 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.24 129.65 42.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.174 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.96 -25.27 11.73 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.191 -0.764 . . . . 99.99 111.191 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.8 t -75.0 125.76 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 99.99 111.168 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.81 -55.99 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.22 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -159.83 157.27 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.161 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -124.92 134.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.22 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -120.28 130.02 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.417 . . . . 99.99 111.212 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -112.73 140.23 47.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.157 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -161.01 144.75 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.309 170.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm 59.18 -125.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.247 -172.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -121.54 41.59 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.216 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.29 164.93 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.203 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -123.82 137.76 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.227 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.5 t -110.34 115.8 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.16 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.69 131.23 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.176 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -123.48 144.98 49.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.155 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -112.19 177.93 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.26 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.69 159.99 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.189 173.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.27 -39.61 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.202 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.03 -40.52 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.174 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.98 158.51 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.192 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -126.28 154.82 42.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.203 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.99 -21.85 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 99.99 111.215 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.75 -36.83 70.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.5 -50.49 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.238 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.56 -50.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.187 -166.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.541 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 63.1 tp -64.25 -46.12 78.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.141 -162.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.3 Cg_exo -49.54 -42.29 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.781 1.654 . . . . 99.99 111.152 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.87 -43.3 72.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.261 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -53.04 -51.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.218 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -53.49 -46.52 70.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.158 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.64 72.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.12 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.7 -48.32 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 99.99 111.135 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.86 -27.35 68.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.205 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.22 -177.447 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.771 0.319 . . . . 99.99 111.24 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -69.85 148.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.25 -174.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.67 -54.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.286 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -165.13 152.37 10.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.212 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.0 mt -113.38 123.59 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.237 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -110.32 163.02 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 99.99 111.227 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -91.99 167.71 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.241 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.488 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -133.27 168.01 20.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.168 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.488 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 71.0 Cg_exo -54.09 -32.05 67.65 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.731 1.621 . . . . 99.99 111.228 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -102.8 110.1 21.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.173 172.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -67.53 -15.37 63.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.198 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -69.88 -21.24 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.155 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -125.32 150.03 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.207 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.42 158.86 38.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.24 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -105.59 127.56 53.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.184 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.16 114.48 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.179 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.4 m -89.58 123.72 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.266 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.11 154.62 28.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.131 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.132 171.081 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 99.99 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -68.76 149.96 48.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.215 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -161.73 159.89 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 99.99 111.187 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -121.29 130.11 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.175 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.94 111.53 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 99.99 111.228 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.5 p -121.23 -33.33 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.196 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.54 146.32 49.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.225 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.48 135.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.201 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -158.05 146.57 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.26 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -32.44 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.158 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -69.98 -15.03 62.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.131 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -90.59 153.9 45.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.254 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.13 128.0 21.23 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.77 1.647 . . . . 99.99 111.183 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.61 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.264 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -55.12 -49.56 71.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.224 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.84 -33.33 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.224 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.24 -45.35 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 99.99 111.268 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.52 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.228 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.98 -42.83 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.186 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.83 -38.36 72.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.193 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.8 -21.37 59.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.239 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.51 121.64 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.131 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.9 125.15 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 99.99 111.146 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -24.13 8.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.163 -0.775 . . . . 99.99 111.163 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.92 125.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 99.99 111.252 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.98 -57.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.19 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.5 p -146.5 152.37 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.238 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.81 135.99 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.219 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -122.98 127.45 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.155 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -101.19 126.06 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.227 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.7 p -143.68 134.03 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.28 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.1 ttm 62.68 -124.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.18 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -120.56 31.09 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.182 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.466 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 49.0 p90 -142.07 161.84 36.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.202 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 mm -117.13 132.22 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.233 -170.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -106.3 114.01 27.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.243 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.92 124.94 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.24 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -111.02 126.82 55.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.174 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.92 179.71 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.274 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.25 160.37 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.238 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -40.56 97.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 99.99 111.213 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.97 -40.51 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.239 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.42 159.62 12.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.153 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.82 153.8 46.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.215 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -71.04 -19.93 62.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.156 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.1 -37.5 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.202 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.8 m -87.23 -50.98 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.229 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.83 -46.78 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.186 -168.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.572 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 9.1 tt -58.58 -52.87 71.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.212 -165.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.2 Cg_endo -60.98 -35.58 87.05 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.757 1.638 . . . . 99.99 111.179 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.2 -44.37 79.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.137 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.51 -44.7 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.189 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.13 -42.11 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.145 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.36 79.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.187 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.2 -47.18 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.144 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -79.03 -33.51 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.193 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.234 178.512 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.782 0.325 . . . . 99.99 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.13 132.2 32.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.161 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.0 mt -104.99 -48.58 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.215 164.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -163.62 135.04 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.141 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -111.64 133.12 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.245 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.8 p -133.58 164.28 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.223 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.81 168.37 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.209 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.523 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 21.8 p -128.17 168.95 13.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.147 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.523 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 73.9 Cg_exo -53.86 -29.12 51.65 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.683 1.589 . . . . 99.99 111.247 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -93.37 111.56 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.117 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -51.71 -37.51 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.192 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.79 -11.4 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.157 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -120.43 138.22 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.218 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mtp -129.8 155.09 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.2 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -108.59 131.07 55.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.18 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -116.04 115.48 49.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.199 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -90.02 122.67 33.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.223 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.62 155.45 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.204 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.258 172.889 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.77 0.319 . . . . 99.99 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 91.5 p -80.09 144.96 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 99.99 111.158 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -167.23 156.53 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.179 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.9 m -120.84 127.11 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.17 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.97 144.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.143 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.5 p -123.18 -25.14 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.23 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.93 154.64 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.175 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -65.59 139.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.197 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -158.24 157.51 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.297 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -76.54 -13.28 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.195 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.2 p -74.62 -14.4 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.169 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.96 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 99.99 111.18 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.19 144.97 21.49 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.698 1.598 . . . . 99.99 111.175 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.1 -39.1 55.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.165 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.51 -36.41 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.169 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mm -80.49 -40.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.166 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -65.56 -46.28 80.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.213 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.79 -47.12 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.155 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.31 -44.56 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.269 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.9 -37.92 72.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.14 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.76 -21.38 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.265 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.82 123.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.202 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.18 125.86 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 99.99 111.228 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -27.64 7.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.306 -0.717 . . . . 99.99 111.306 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.34 128.6 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 99.99 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.52 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.235 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -154.67 157.61 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.113 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.2 mt -128.87 128.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.228 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.21 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.9 t-80 -111.56 134.66 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.175 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -153.99 131.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.236 172.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm 61.64 -124.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.205 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -117.42 34.31 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.237 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 51.7 p90 -149.96 155.46 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.231 175.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.71 137.79 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.234 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -105.0 110.42 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.149 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.19 127.7 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.247 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -127.22 145.8 50.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.147 -175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -110.04 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.224 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.49 165.5 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.245 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.48 -40.13 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.163 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.75 -40.22 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.12 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 158.12 21.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.158 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.37 151.73 47.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.142 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -70.09 -23.4 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.267 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -40.2 64.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 99.99 111.174 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.7 m -85.97 -50.43 7.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.239 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.82 -49.57 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.178 -166.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.6 tp -62.72 -47.26 88.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.191 -163.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.5 Cg_exo -48.86 -44.03 33.22 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.738 1.625 . . . . 99.99 111.247 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -42.51 77.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.134 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -53.57 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.243 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.78 -40.64 76.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.316 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.7 -41.24 77.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 99.99 111.197 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.2 -44.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.15 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -76.93 -35.14 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.201 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.228 -175.215 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.773 0.32 . . . . 99.99 111.214 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -63.32 143.07 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.222 -176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.6 mt -105.54 -53.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.202 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -160.34 165.78 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.19 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.88 124.71 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.219 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.8 p -112.99 160.8 17.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 99.99 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.36 168.67 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.228 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.1 p -133.37 166.91 25.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.287 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.8 Cg_exo -54.85 -30.86 70.15 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 121.761 1.641 . . . . 99.99 111.223 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -101.83 110.3 22.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.287 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -67.82 -14.28 62.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.216 -171.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.32 -20.39 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.206 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 t -131.86 149.96 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.222 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.2 mtp -126.33 160.29 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.153 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -107.44 127.58 53.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.175 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.3 mt -116.62 121.25 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.21 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.9 m -95.13 127.03 40.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.172 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -113.48 155.98 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.224 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.22 175.317 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 99.99 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -70.1 154.59 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.13 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -162.87 154.68 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.263 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -119.97 128.68 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.173 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -123.93 105.05 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.232 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.1 p -119.11 -42.74 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.119 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.43 139.72 50.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.226 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.93 123.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -137.53 161.07 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.194 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.27 -30.34 64.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.209 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.5 p -65.62 -17.83 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.152 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 56.2 mt-30 -89.99 149.31 41.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 99.99 111.189 -176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.7 Cg_exo -51.47 135.54 47.53 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.705 1.603 . . . . 99.99 111.238 174.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.83 -44.78 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.188 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HB2' HG13 ' A' ' 81' ' ' VAL . 43.5 p90 -71.94 -24.63 61.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.207 -176.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.421 HG12 ' HB2' ' A' ' 39' ' ' PRO . 30.9 mm -71.78 -34.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.153 169.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.22 -42.29 99.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.231 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.91 -48.69 72.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.211 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.32 -45.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.16 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.99 -37.58 77.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.2 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.96 -18.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.171 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.01 125.03 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.107 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 126.41 27.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 99.99 111.278 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.55 -22.4 24.33 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.222 -0.751 . . . . 99.99 111.222 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.4 t -76.34 125.04 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 99.99 111.197 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -99.67 -51.56 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.222 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -146.85 132.74 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.186 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -113.16 117.97 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.203 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -113.62 126.81 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.171 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.0 136.3 40.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.166 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.22 131.43 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.197 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 54.51 -105.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.219 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -135.76 32.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.247 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -149.98 159.09 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.124 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.05 136.04 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.228 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -100.55 111.79 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 99.99 111.062 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.4 t -104.55 115.08 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.203 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -111.45 122.84 48.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.214 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -99.95 -179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.283 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.06 144.94 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 99.99 111.213 167.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.55 -35.41 80.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.188 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.48 -40.99 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.212 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 167.99 6.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -123.94 152.39 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.192 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -70.61 -23.07 62.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.19 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.43 -39.89 64.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.235 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.23 -50.41 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.157 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.99 -50.11 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.145 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 29.7 tp -64.54 -45.49 76.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 99.99 111.145 -161.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.0 Cg_exo -51.02 -43.86 45.52 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.821 1.681 . . . . 99.99 111.17 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.05 -48.01 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.238 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.89 -45.07 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 99.99 111.191 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.4 -44.2 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.275 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.0 -38.11 67.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.493 . . . . 99.99 111.135 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 41' ' ' PHE . 74.2 t -61.53 -39.27 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.292 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -79.7 4.3 16.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.194 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.274 171.316 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.738 0.304 . . . . 99.99 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 tt -92.17 149.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.245 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -102.73 -55.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 99.99 111.196 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -169.0 165.47 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.174 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.412 HG22 ' HE3' ' A' ' 15' ' ' MET . 64.7 mt -121.51 126.25 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.23 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.7 t -121.75 133.94 54.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.214 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -63.78 160.17 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.228 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 36.9 p -125.53 165.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.202 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 50.2 Cg_exo -56.74 -25.0 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.602 1.534 . . . . 99.99 111.113 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -82.07 108.93 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.163 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -59.47 136.84 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.206 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 77.81 12.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.139 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -135.34 136.21 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.301 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.412 ' HE3' HG22 ' A' ' 6' ' ' ILE . 91.2 mtp -129.96 155.07 46.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 99.99 111.234 -178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -106.7 130.36 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.124 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -106.56 121.23 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.186 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.0 m -100.38 120.09 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.165 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -108.3 139.22 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.193 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.239 167.251 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.777 0.322 . . . . 99.99 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -78.45 128.77 34.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.132 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -143.18 153.43 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.187 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -114.16 129.88 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.202 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -122.76 110.49 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.238 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.4 p -121.11 -26.6 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 99.99 111.165 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 89.1 tttt -135.07 130.12 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.172 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.55 132.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.089 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -159.82 148.15 17.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.211 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.97 -29.86 70.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.101 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -69.94 -13.96 62.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.146 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 66.1 mt-30 -90.06 154.62 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 99.99 111.178 -178.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HB2' HG12 ' A' ' 42' ' ' ILE . 64.1 Cg_exo -48.38 132.68 24.6 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.736 1.624 . . . . 99.99 111.085 171.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.65 -42.19 61.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.22 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -54.7 -50.04 69.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.201 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.1 mm -57.83 -39.49 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.238 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.04 -49.01 74.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 99.99 111.192 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.48 -46.04 80.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.245 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG23 ' A' ' 78' ' ' VAL . 96.0 mt -62.08 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.204 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.97 -36.95 75.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.22 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -72.73 -21.25 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.098 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.98 119.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.216 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.87 124.81 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.167 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.11 -28.65 6.52 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 99.99 111.207 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.06 126.82 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 99.99 111.193 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.0 -59.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.183 -174.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -151.97 151.56 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.178 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -125.69 139.57 50.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.264 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -124.72 122.48 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.304 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -115.29 112.01 21.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.286 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -133.35 135.03 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.172 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.7 mtp 57.25 -123.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.263 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -115.84 27.52 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.194 -172.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 54.5 p90 -147.35 155.21 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.116 177.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -125.96 129.86 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.201 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 t -100.34 119.67 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.151 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.5 t -118.12 127.83 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.215 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.72 146.8 50.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.215 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.02 179.78 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.261 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.62 162.94 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.215 172.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.64 -39.35 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.18 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.25 -40.26 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.256 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.32 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.29 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.6 152.74 47.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 99.99 111.263 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -69.97 -21.22 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.232 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -37.77 70.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.15 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.21 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.62 -50.01 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.244 -167.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.541 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.5 tp -62.82 -47.05 88.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 99.99 111.229 -162.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.6 Cg_exo -48.81 -44.01 33.03 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.632 1.555 . . . . 99.99 111.18 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.11 -44.51 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.142 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 45' ' ' ILE . 71.2 t -56.12 -50.67 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.212 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.69 -42.78 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.244 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.96 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.134 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.91 -45.55 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.294 -176.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.75 -13.53 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.249 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.193 179.036 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.761 0.315 . . . . 99.99 111.167 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.05 129.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.178 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.1 mt -100.79 -45.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.194 164.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -162.19 130.36 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.191 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -108.42 125.27 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.144 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.3 p -133.29 171.94 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 99.99 111.164 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.58 169.84 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.151 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 31.8 p -128.09 166.42 24.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.107 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 60.5 Cg_exo -55.12 -29.39 65.61 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.662 1.575 . . . . 99.99 111.25 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -97.65 139.11 34.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.208 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -85.71 157.27 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.198 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 73.78 13.63 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.182 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 t -149.85 138.8 21.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.29 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mtp -129.7 159.71 35.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.186 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -108.83 130.62 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.182 -174.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.63 104.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.254 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.1 m -78.6 125.63 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 99.99 111.15 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -113.59 153.7 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.115 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.226 176.203 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 99.99 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -73.9 153.38 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.11 -176.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -163.72 154.64 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.132 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.6 m -117.54 127.1 53.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.229 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -124.95 105.96 9.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.184 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.9 p -120.74 -22.98 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.165 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.58 155.07 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.249 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -92.11 125.06 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.252 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -169.59 174.98 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.172 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.83 -30.99 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.247 -173.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -72.89 -14.64 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.151 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.646 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 15.5 mp0 -89.88 145.58 33.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.253 173.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.44 137.18 48.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.729 1.619 . . . . 99.99 111.167 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.26 -54.9 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.184 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -53.6 -45.69 70.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.197 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mm -57.56 -39.25 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.241 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.31 -46.16 89.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 99.99 111.15 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.85 -48.32 78.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.161 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.55 -41.14 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.217 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.29 -39.0 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.138 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.11 -19.56 58.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.163 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.42 123.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.176 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.19 125.05 22.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.32 -26.9 9.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 99.99 111.182 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -74.1 125.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 99.99 111.091 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.01 -57.72 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.248 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -148.21 154.0 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.132 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.03 138.52 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.278 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -124.73 127.68 47.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.228 172.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -106.51 141.59 37.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.215 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' A' ' 58' ' ' MET . 8.2 p -161.94 145.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.222 172.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.416 ' HG2' HG23 ' A' ' 57' ' ' VAL . 99.5 mmm 59.15 -123.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.249 -175.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.37 42.38 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.253 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.84 163.02 40.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.294 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.9 mt -117.13 134.77 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.264 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -104.92 120.25 40.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.215 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.91 122.35 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.214 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -112.14 122.11 46.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.178 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -98.96 179.94 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.182 -175.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.4 153.5 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.254 170.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.86 -37.07 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 99.99 111.206 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.38 -40.45 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.199 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.83 158.49 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.245 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.39 149.92 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.226 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.164 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.05 -34.91 70.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.131 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -81.96 -49.93 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.158 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.1 -50.3 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.133 -167.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 36.5 mt -62.02 -46.4 91.75 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.438 . . . . 99.99 111.173 -161.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 94.1 Cg_exo -47.59 -45.81 22.43 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.759 1.639 . . . . 99.99 111.206 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.61 -46.06 60.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.216 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.61 -45.38 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.242 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.6 -43.75 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.205 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.63 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.168 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.63 -47.43 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.166 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -81.66 -38.62 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.244 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.206 -174.09 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.821 0.343 . . . . 99.99 111.155 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.0 147.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.223 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 99.3 mt -105.03 -54.99 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.172 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -164.93 162.3 20.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.23 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.61 124.34 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 99.99 111.169 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -109.45 162.88 13.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.221 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.77 168.59 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.231 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 17.8 p -133.35 167.52 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.215 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.4 Cg_exo -54.12 -31.6 65.88 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.662 1.575 . . . . 99.99 111.266 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -100.69 110.1 22.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.194 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -69.68 -11.37 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.13 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.21 -17.59 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.5 t -132.48 146.92 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.219 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.57 155.32 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.221 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -105.81 126.73 52.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.143 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.3 mt -108.76 119.92 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.216 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.3 m -95.62 123.2 39.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -110.68 152.55 26.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.214 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.196 170.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.752 0.31 . . . . 99.99 111.206 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -74.61 147.26 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.165 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -164.64 154.98 14.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.164 170.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -119.18 130.03 55.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.166 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -126.11 112.58 16.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.235 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -117.4 -24.94 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.276 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.92 141.9 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.23 -177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -63.06 127.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.184 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -155.06 171.7 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.183 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -78.28 -9.99 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.194 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -73.96 -20.45 60.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.161 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -94.55 154.03 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.132 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -50.86 145.07 25.13 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.718 1.612 . . . . 99.99 111.176 166.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.13 -44.81 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.21 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.476 ' HB2' HG13 ' A' ' 81' ' ' VAL . 38.5 p90 -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.226 -173.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -76.56 -33.57 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.149 169.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.89 -39.71 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.176 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' HG21 ' A' ' 48' ' ' VAL . 99.4 m-20 -52.73 -48.66 66.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.145 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.57 -46.49 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.194 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.65 -38.2 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.228 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -75.64 -20.79 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.171 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 44' ' ' ASP . 73.8 t -63.05 120.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.205 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 124.74 19.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.154 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.09 -30.96 4.87 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 99.99 111.188 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.97 121.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 99.99 111.186 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -101.78 -50.07 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.253 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -145.15 134.84 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.156 -174.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -118.76 121.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.122 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -115.36 125.25 52.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.222 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -116.48 120.21 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.242 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG23 ' HG2' ' A' ' 58' ' ' MET . 11.2 p -147.16 140.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.206 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.433 ' HG2' HG23 ' A' ' 57' ' ' VAL . 99.7 mmm 58.03 -122.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.233 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.31 40.03 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -151.78 156.07 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.194 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.95 132.44 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 99.99 111.234 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 t -104.92 122.78 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.205 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -112.86 120.04 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.185 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -111.21 130.81 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.17 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -100.06 -179.96 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.207 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.19 160.59 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.24 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.01 -39.22 93.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.183 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.11 -41.71 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.169 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.56 166.11 21.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.253 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.6 160.0 30.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.173 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -72.51 -20.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.216 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.8 -40.09 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.157 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -85.77 -50.88 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.224 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.78 -49.71 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.215 -167.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 62.4 tp -63.96 -46.37 80.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.22 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.0 Cg_exo -49.82 -43.19 41.82 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.775 1.65 . . . . 99.99 111.173 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.69 -47.41 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.177 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.87 -49.48 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.206 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.67 -45.51 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.192 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.53 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.2 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 41' ' ' PHE . 47.0 t -59.42 -42.3 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 99.99 111.187 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -84.95 13.71 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.125 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.23 165.349 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 99.99 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.59 134.75 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.196 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -103.42 -47.89 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.246 170.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -161.51 130.21 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.221 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -105.01 130.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.164 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -136.96 161.66 35.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.202 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.62 169.49 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.212 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.483 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.5 p -127.84 167.25 19.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.196 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.9 Cg_exo -53.62 -32.28 63.82 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.773 1.648 . . . . 99.99 111.182 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -102.99 109.98 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.197 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -65.46 -15.55 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.185 -171.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.02 -27.44 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.236 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 t -122.62 149.87 43.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.227 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.7 ttm -127.11 143.96 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.257 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.52 129.91 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.175 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.08 108.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.189 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.1 m -81.55 122.29 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.173 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.2 159.84 19.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.135 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.24 167.2 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.816 0.341 . . . . 99.99 111.221 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.1 p -80.0 145.49 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.16 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -166.5 158.16 13.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.237 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.6 m -125.69 130.07 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.093 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -128.97 143.47 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.136 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.4 p -124.82 -25.36 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.15 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.6 150.1 41.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.248 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.68 136.76 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.206 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.33 143.95 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.216 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.39 -23.7 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 99.99 111.151 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.8 p -69.92 -14.93 62.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.111 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -94.77 152.38 39.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.181 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.77 138.14 26.33 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.684 1.59 . . . . 99.99 111.254 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.81 -38.49 34.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.132 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -53.57 -53.51 50.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.187 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.49 -33.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.195 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.06 -46.8 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.215 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.07 -45.49 83.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.238 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 HG23 ' A' ' 78' ' ' VAL . 92.2 mt -59.57 -41.7 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.183 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.46 -38.94 75.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.17 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -76.74 -17.31 59.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.213 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.18 124.04 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.195 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.7 124.86 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.241 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.58 -29.9 7.57 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.284 -0.726 . . . . 99.99 111.284 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.99 126.49 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 99.99 111.186 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.99 -50.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.218 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -146.13 154.71 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.176 -174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.04 124.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 99.99 111.144 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -110.73 127.97 55.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.065 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -109.36 140.35 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.314 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.12 145.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.156 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 55.01 -105.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.18 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -141.71 33.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.275 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -145.32 164.94 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.227 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -113.4 134.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.227 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.7 t -107.67 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.192 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.54 117.58 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.198 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -105.36 119.72 39.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.227 -176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -99.69 -179.95 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.229 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.05 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.209 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.6 -40.44 91.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 99.99 111.122 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.84 -41.43 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.218 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.96 161.73 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.082 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -119.14 153.56 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 99.99 111.177 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.23 -21.29 63.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.256 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.03 -36.05 70.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.204 175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.3 m -86.25 -50.42 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.136 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.04 -50.33 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.241 -167.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 57.0 tp -63.83 -46.33 81.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.181 -161.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.3 Cg_exo -48.67 -44.15 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.759 1.639 . . . . 99.99 111.102 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 -45.96 62.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.182 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 45' ' ' ILE . 69.9 t -60.68 -48.58 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.225 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.89 -42.5 72.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.143 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.93 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.187 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.1 -47.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.21 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -69.77 -16.92 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.236 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.175 178.396 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.1 tttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 99.99 111.236 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.7 mt -72.71 135.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.197 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.64 -44.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.215 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -150.88 127.86 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.201 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.69 132.72 59.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.264 171.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -136.97 168.16 20.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.239 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.24 169.89 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.206 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 p -129.49 167.96 18.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 99.99 111.19 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.7 Cg_exo -53.81 -30.53 57.67 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.706 1.604 . . . . 99.99 111.252 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -100.18 110.02 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.186 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -67.28 -14.51 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.242 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.5 -23.08 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.219 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 8.0 t -125.44 149.87 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.171 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.5 mtp -125.7 158.63 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.241 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -105.89 125.65 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.172 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.76 111.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.247 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.9 m -99.37 125.08 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.221 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.33 169.86 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 99.99 111.134 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.183 173.366 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.726 0.298 . . . . 99.99 111.249 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -76.48 120.89 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 99.99 111.277 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -144.46 130.19 19.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.149 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -109.88 125.18 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.215 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.92 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.224 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.5 p -116.73 -26.74 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.222 170.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.64 160.18 20.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.149 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.04 158.71 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.19 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -165.05 159.82 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.222 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -73.37 -19.86 60.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.233 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.2 p -75.37 -14.93 60.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.216 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.36 153.82 38.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.223 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.59 141.88 32.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.81 1.673 . . . . 99.99 111.137 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.14 -41.46 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.223 170.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -55.08 -50.06 70.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.131 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.27 -32.68 59.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.148 -174.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.0 -49.93 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.192 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.92 -46.65 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.113 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 HG23 ' A' ' 78' ' ' VAL . 84.6 mt -60.25 -43.8 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.149 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.9 -36.71 77.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.197 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.36 -23.38 60.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.076 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.21 124.84 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.193 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.91 130.01 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.196 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.51 -30.53 6.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.244 -0.743 . . . . 99.99 111.244 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.95 125.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 99.99 111.116 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.11 -58.63 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.214 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 91.2 p -147.66 154.99 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.142 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -133.1 130.82 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.185 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -113.9 127.38 55.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.207 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -108.81 139.19 43.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.223 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.402 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -158.63 138.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.192 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp 55.18 -116.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.225 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -122.98 28.65 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.189 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 52.6 p90 -149.7 158.97 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.154 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.07 136.49 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.166 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -100.94 109.97 21.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.205 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 14' ' ' THR . 95.4 t -104.72 119.11 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.186 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -111.86 119.98 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.143 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -98.73 165.39 11.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.252 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.09 155.33 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 99.99 111.267 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.53 -39.29 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.187 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.76 -40.78 75.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.252 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.41 147.12 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 99.99 111.154 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.76 148.38 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.203 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -69.91 -22.92 63.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.153 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -56.27 -37.37 69.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.271 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.36 -50.23 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.146 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.45 -50.55 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.114 -166.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.4 tp -62.53 -46.87 89.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.112 -163.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.9 Cg_exo -49.48 -44.43 34.9 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.665 1.577 . . . . 99.99 111.247 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.27 -46.3 64.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 99.99 111.26 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 45' ' ' ILE . 74.0 t -57.36 -51.5 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 99.99 111.292 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.12 -43.86 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.246 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.23 -41.76 76.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.226 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.24 -49.01 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.174 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -63.05 -27.58 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.245 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.145 -175.783 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.726 0.298 . . . . 99.99 111.242 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.48 147.68 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.19 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -105.02 -55.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.14 170.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -162.84 169.49 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.192 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 130.89 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.255 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.2 t -116.5 133.51 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.233 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.07 171.36 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.217 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.7 p -134.97 166.84 26.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.194 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 54.2 Cg_exo -54.9 -28.79 60.55 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.586 1.524 . . . . 99.99 111.185 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -96.7 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.236 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -50.19 -39.89 45.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.144 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.94 -22.64 67.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.152 -164.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -124.35 146.35 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.256 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.9 mtp -133.62 155.02 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.146 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -108.95 130.34 55.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.247 -174.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.08 125.75 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.132 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -93.56 130.09 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.3 mt -106.6 153.16 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.17 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.151 175.602 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.812 0.339 . . . . 99.99 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -78.96 158.16 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.234 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -167.01 158.76 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.172 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.4 m -118.53 130.1 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.156 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.92 107.13 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.214 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -115.08 -46.84 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.213 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.76 143.79 44.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.195 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.12 128.96 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.172 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.37 146.3 28.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.167 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.175 -175.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -69.09 -14.84 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.185 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -89.44 156.35 48.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.223 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.8 Cg_exo -54.91 145.52 61.89 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.706 1.604 . . . . 99.99 111.174 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.208 171.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -73.07 -7.73 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.26 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 39' ' ' PRO . 32.2 mm -89.27 -42.23 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.229 167.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.27 -45.41 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.241 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -54.69 -49.18 71.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.159 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.47 -42.85 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.256 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.85 -38.19 64.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.228 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.78 -20.34 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 99.99 111.114 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.68 124.76 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.196 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.57 127.7 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.324 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.48 -28.68 8.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.282 -0.727 . . . . 99.99 111.282 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.33 128.59 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 99.99 111.217 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.77 -57.03 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.226 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -158.67 155.51 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.225 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -124.49 139.83 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 99.99 111.176 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -126.65 131.21 51.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.151 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.41 140.61 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.157 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.04 135.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.229 172.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtt 54.4 -104.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.266 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -132.61 25.09 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.236 -167.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.75 161.04 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.187 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -122.46 133.65 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.186 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -103.94 114.43 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.22 175.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.8 129.13 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 99.99 111.137 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.09 146.05 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.174 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -120.76 170.06 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.251 -175.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -74.54 155.25 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.2 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.21 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.48 -40.45 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.267 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.12 154.83 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.172 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -120.07 149.89 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.261 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -70.06 -19.78 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.184 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.68 -39.19 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.181 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.2 m -86.39 -50.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.148 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.7 -49.07 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 99.99 111.32 -167.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 51.2 tp -63.03 -46.4 86.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.211 -162.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 81.3 Cg_exo -48.7 -43.25 34.77 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.762 1.642 . . . . 99.99 111.182 177.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.85 -44.41 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.229 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.38 -54.14 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.179 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.48 -45.38 76.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.252 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.38 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.152 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.55 -40.0 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.157 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.98 4.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.245 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.245 176.821 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.833 0.349 . . . . 99.99 111.184 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.91 129.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.187 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -94.79 -45.03 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.181 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -162.35 139.8 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.143 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -111.26 115.25 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.192 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.8 p -113.86 165.42 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.122 -174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.42 169.74 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 99.99 111.276 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -130.65 168.27 17.74 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.207 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.4 Cg_exo -53.75 -30.15 55.31 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.652 1.568 . . . . 99.99 111.241 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -101.97 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.157 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -67.05 -14.55 63.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.189 -170.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.78 -20.52 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.197 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 7.1 t -126.3 147.83 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.188 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.2 mtp -126.7 158.91 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.18 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -108.59 123.02 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.279 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.45 109.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.222 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -88.81 126.84 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.14 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.36 153.3 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 99.99 111.171 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.233 172.329 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 99.99 111.187 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -75.51 149.75 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.194 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.16 159.18 25.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.209 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -121.28 128.62 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.241 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.23 138.06 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.147 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -125.1 -71.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.134 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.69 150.13 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.239 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.5 132.77 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.197 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -156.72 159.88 38.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.151 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -73.95 -31.43 63.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.304 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.4 p -65.21 -17.9 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.178 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -89.99 151.2 44.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.138 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.12 136.12 37.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.708 1.605 . . . . 99.99 111.207 170.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.63 64.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.232 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -66.69 -31.99 73.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.176 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.17 -38.54 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.194 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.53 -44.1 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.224 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.59 -47.45 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.143 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.98 -46.03 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.216 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.57 -36.35 78.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.13 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.15 -18.61 61.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.232 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.53 120.17 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.147 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.61 124.97 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.216 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.59 -20.85 17.6 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.198 -0.761 . . . . 99.99 111.198 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.13 125.55 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 99.99 111.108 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -95.18 -59.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 99.99 111.171 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.3 p -144.74 156.44 44.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.222 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -127.23 136.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 99.99 111.236 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -121.22 121.79 38.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.271 167.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -115.32 114.28 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.199 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -141.6 138.7 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 99.99 111.17 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm 64.75 -121.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.225 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -126.21 39.87 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.248 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 50.3 p90 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.235 174.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mm -114.65 136.79 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.173 -175.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.5 t -102.89 107.3 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 99.99 111.189 168.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 14' ' ' THR . 84.6 t -104.82 118.09 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.159 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -110.74 123.69 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.156 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -97.35 179.95 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.286 -176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.53 158.75 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.26 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.92 -39.94 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.175 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.04 -40.55 75.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.214 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 158.64 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 99.99 111.169 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -124.22 151.39 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.141 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -70.3 -23.17 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.227 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -41.1 65.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.141 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.8 m -87.35 -50.96 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 99.99 111.194 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.36 -47.68 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.154 -167.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.1 tp -61.46 -52.93 66.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.244 -164.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 23.5 Cg_endo -62.47 -36.19 67.26 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 99.99 111.151 -176.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.47 -44.13 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 99.99 111.145 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.78 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.178 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.63 -40.92 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.161 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.38 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.308 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.39 -39.96 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 99.99 111.243 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -91.12 37.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.225 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.257 170.149 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 99.99 111.231 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 19.9 tt -65.95 149.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.169 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.28 -45.15 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.173 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -163.24 167.13 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.94 123.7 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.221 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -104.98 141.49 36.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.18 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -76.89 162.28 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.167 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 61.8 p -138.03 163.4 48.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.245 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 44.2 Cg_exo -55.9 -27.75 64.72 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.674 1.583 . . . . 99.99 111.197 174.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.64 156.44 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.149 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.52 -50.0 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.235 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -73.67 -14.4 61.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.156 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 t -133.74 140.59 47.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.228 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.6 mtp -127.63 173.4 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.277 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -106.6 129.95 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.185 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.88 127.53 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.172 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -95.26 129.79 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.262 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.04 155.12 44.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.169 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.196 -179.196 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.841 0.353 . . . . 99.99 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.48 160.3 17.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.24 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -165.64 154.89 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.221 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -119.33 129.3 54.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.199 -176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -124.51 104.99 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.204 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -119.42 -30.95 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.237 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -125.21 152.17 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.178 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.25 133.34 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.11 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.53 146.83 19.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 99.99 111.215 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.29 -31.14 71.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.232 -175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -70.12 -13.55 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.212 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.79 152.86 42.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.196 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HB2' HG12 ' A' ' 42' ' ' ILE . 53.7 Cg_exo -50.6 137.18 41.4 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.69 1.593 . . . . 99.99 111.097 174.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.15 -47.5 65.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.154 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -70.05 -25.34 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 99.99 111.297 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.4 mm -71.75 -34.05 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.196 171.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.92 -44.64 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.246 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.22 -50.05 74.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.24 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 78' ' ' VAL . 15.2 tt -63.74 -34.2 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.216 -174.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.26 -37.39 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.22 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.33 -22.03 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.216 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.34 122.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.248 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.86 128.27 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.23 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.45 -32.64 6.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.226 -0.75 . . . . 99.99 111.226 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.29 125.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 99.99 111.148 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -99.08 -52.25 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.178 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -145.7 139.85 26.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.242 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mm -117.75 126.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -123.4 126.68 47.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.309 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -99.9 124.72 45.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.235 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -133.85 131.29 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 99.99 111.21 172.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.3 ttm 54.59 -105.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.206 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -130.41 24.4 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.134 -174.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.98 165.1 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.167 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.14 127.31 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.19 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -91.98 125.58 36.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.203 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -113.85 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.317 -0.402 . . . . 99.99 111.191 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.71 127.04 53.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.191 176.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -97.25 -179.93 4.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.208 -174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -84.98 156.86 20.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.206 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.8 -40.03 94.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.201 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.09 -41.56 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.173 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.22 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.204 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.47 156.62 31.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.306 173.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -66.89 -26.32 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.206 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.54 -36.07 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.227 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.5 m -81.93 -49.13 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.244 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.67 -49.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.179 -166.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 33.7 mt -60.59 -46.68 97.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.157 -164.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 95.5 Cg_exo -46.56 -44.65 20.89 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.772 1.648 . . . . 99.99 111.21 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.91 -44.21 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 99.99 111.204 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG23 HD12 ' A' ' 45' ' ' ILE . 76.2 t -54.89 -50.62 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.219 176.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.85 -45.62 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.244 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.18 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.188 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.66 -38.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.202 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 11.1 m-30 -93.39 21.46 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.204 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.126 170.448 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.5 tttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.791 0.329 . . . . 99.99 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 134.76 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.178 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -95.88 -46.17 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.257 171.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -162.16 138.95 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 99.99 111.206 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -102.58 115.17 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 99.99 111.117 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.1 t -100.02 148.37 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.161 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.94 168.95 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.192 170.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -135.01 159.62 71.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.203 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.17 -35.7 74.34 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 99.99 111.266 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -105.42 111.67 24.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.192 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -88.91 19.63 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.171 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.37 -6.56 59.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.157 165.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 9.8 t -142.66 146.06 34.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.278 173.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.4 mmm -114.74 153.26 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.128 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -109.31 123.89 50.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.249 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.07 112.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.199 -177.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -82.44 126.11 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.254 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.74 153.29 27.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.235 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.206 178.339 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.746 0.307 . . . . 99.99 111.207 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 94.5 p -76.4 145.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.123 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -166.92 154.26 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.251 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -123.05 129.96 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.179 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -128.17 118.94 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 99.99 111.169 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -121.74 -30.47 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.158 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -110.59 129.35 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.25 -174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -56.4 124.82 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.254 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -155.08 170.83 20.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.181 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -75.29 -10.82 59.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.209 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.4 p -72.8 -20.57 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.224 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.72 152.38 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.167 173.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -50.0 145.79 18.52 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.768 1.645 . . . . 99.99 111.187 166.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.94 -44.33 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.189 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -74.49 -19.23 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.229 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.7 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 99.99 111.267 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.47 -38.49 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.194 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' O ' HG21 ' A' ' 48' ' ' VAL . 99.1 m-20 -52.19 -48.6 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.27 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.17 -47.0 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.199 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.45 -38.15 73.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.215 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.96 -19.66 57.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.169 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 44' ' ' ASP . 66.1 t -60.13 121.4 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.193 175.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 111.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.173 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.26 -20.8 5.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.226 -0.749 . . . . 99.99 111.226 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.6 t -77.93 129.44 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 99.99 111.13 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.09 -56.07 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.208 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.3 p -150.45 154.7 38.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.262 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -119.51 118.07 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.195 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -115.23 131.33 56.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.263 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' SER . 52.0 t-80 -109.67 140.02 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.194 173.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 12.3 p -153.49 140.17 12.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.176 170.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 ttm 61.82 -105.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.157 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -141.14 31.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.176 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 53.1 p90 -144.9 165.1 29.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.23 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mm -110.32 133.43 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.152 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.6 t -105.17 109.93 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.235 166.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' THR . 67.4 t -102.39 120.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.193 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -112.28 126.83 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.447 . . . . 99.99 111.18 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.26 179.91 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.17 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.39 160.73 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.261 171.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.28 -39.92 92.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 99.99 111.183 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.94 -40.22 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 99.99 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.19 156.17 10.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.152 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -120.34 147.54 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.263 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -70.48 -21.86 62.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.252 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.237 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.6 m -87.67 -50.7 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.222 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.45 -50.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.173 -164.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 49.4 tp -64.33 -45.37 78.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.169 -162.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.3 Cg_exo -50.14 -41.05 50.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.672 1.581 . . . . 99.99 111.27 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.18 -43.03 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.187 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.96 -48.28 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.238 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.63 -40.33 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.361 175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.9 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 99.99 111.181 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.13 -34.42 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.273 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.85 -26.15 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.174 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.209 178.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 tttt . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.7 0.286 . . . . 99.99 111.229 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.58 139.99 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 99.99 111.214 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.96 -54.87 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.215 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -158.53 167.86 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.138 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.99 116.27 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.243 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.7 p -108.03 163.34 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.15 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.78 168.63 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.257 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 p -134.46 164.98 40.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.138 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 53.2 Cg_exo -54.62 -31.81 72.11 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.606 . . . . 99.99 111.187 177.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -100.33 109.94 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.263 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -69.15 -9.86 54.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.18 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -80.12 -7.28 58.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.129 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 t -136.88 150.05 48.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.249 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -116.76 151.3 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.187 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -109.9 119.36 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.183 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.53 124.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.24 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -86.56 135.28 33.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.2 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.86 158.44 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.236 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.273 -174.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 99.99 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -138.63 152.12 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.165 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -164.61 156.73 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 99.99 111.156 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -118.68 130.06 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.252 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -121.75 104.29 9.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.155 -173.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -116.57 -30.13 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.159 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.01 165.87 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 99.99 111.192 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.28 124.01 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.175 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.92 160.12 41.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 99.99 111.187 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -73.86 -30.64 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.159 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.4 p -66.46 -14.87 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.255 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.02 153.92 47.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.233 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HB2' HG12 ' A' ' 42' ' ' ILE . 57.2 Cg_exo -52.26 136.13 54.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.789 1.659 . . . . 99.99 111.128 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.15 -45.13 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.165 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.22 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 39' ' ' PRO . 28.5 mm -60.46 -38.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.235 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.76 -49.16 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.207 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.75 -47.85 83.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.119 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.79 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.173 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 mt -55.18 -40.3 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 99.99 111.215 173.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.36 -19.52 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.244 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.96 124.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.206 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.78 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.203 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.01 -26.4 15.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.189 -0.764 . . . . 99.99 111.189 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.43 129.19 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 99.99 111.135 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -93.93 -56.79 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.227 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -161.26 157.34 25.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.239 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.66 130.47 74.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.287 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.26 130.03 56.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.175 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -109.97 136.58 49.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.239 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.72 127.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.22 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.31 -118.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.211 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -113.26 22.22 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.151 -166.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -150.81 160.1 44.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 99.99 111.218 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.95 135.07 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.249 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 t -104.95 109.95 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.259 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.69 125.0 65.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.225 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.181 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.73 179.13 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.251 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -84.8 161.78 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.311 171.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.03 -39.77 95.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 99.99 111.192 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.38 -40.01 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.139 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.02 160.06 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.233 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.95 149.82 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.192 173.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -69.49 -26.93 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.239 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.44 -35.76 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.233 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -82.47 -49.59 9.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 99.99 111.124 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.12 -50.17 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.17 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.535 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 35.5 mt -61.4 -46.0 94.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.18 -163.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 76.5 Cg_exo -45.79 -44.28 18.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.751 1.634 . . . . 99.99 111.224 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.13 -45.3 61.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.6 -55.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.2 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -58.41 -38.76 78.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.222 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -41.47 73.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.186 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.38 -46.07 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.153 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -57.89 -30.09 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.268 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.247 -173.386 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 99.99 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 84.6 mt -97.12 139.75 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.099 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.8 mt -93.17 -52.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 99.99 111.251 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -157.93 157.29 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.25 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.7 123.84 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 99.99 111.249 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.0 p -118.11 168.28 10.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 99.99 111.134 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.24 169.41 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.249 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.9 p -130.24 160.0 67.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.242 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -33.74 81.97 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.742 1.628 . . . . 99.99 111.178 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -92.79 113.17 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.17 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 55.8 t-80 -70.03 156.91 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.186 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 77.2 m-20 80.38 12.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.153 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -146.72 141.11 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.259 166.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.5 mmm -115.5 152.92 32.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.134 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.35 119.81 40.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.197 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -108.27 117.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.223 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -85.11 128.56 34.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.242 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -100.78 156.11 17.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.196 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.155 178.451 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.771 0.319 . . . . 99.99 111.303 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 40.5 t -137.74 116.47 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.086 170.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -161.22 162.29 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.234 -166.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -115.36 130.63 56.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.191 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -118.58 119.54 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.194 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 p -119.29 -31.27 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.264 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.93 162.71 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.276 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.87 134.62 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.21 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.9 141.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.199 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.88 -30.04 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.194 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -71.04 -14.25 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.177 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -85.82 158.53 56.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.246 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.2 Cg_exo -54.88 146.67 55.4 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.595 1.53 . . . . 99.99 111.259 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.59 -51.26 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.231 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.02 -10.03 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.294 -174.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 39' ' ' PRO . 33.9 mm -86.42 -43.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.149 171.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.25 -44.04 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.299 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -55.21 -47.16 75.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.196 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.84 -44.92 75.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.148 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.24 -43.54 70.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.175 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -74.89 -12.27 60.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 99.99 111.212 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.49 124.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.168 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.81 128.75 38.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.221 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.71 -16.4 21.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.185 -0.766 . . . . 99.99 111.185 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.39 128.78 39.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.805 0.336 . . . . 99.99 111.172 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.96 -58.78 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.214 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -152.44 152.87 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.271 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.21 125.37 67.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.14 172.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -115.08 128.5 56.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.214 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' SER . 16.6 t-160 -116.09 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.245 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -143.56 129.6 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.182 167.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm 54.93 -110.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.218 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -122.77 23.24 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.248 -164.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.78 155.18 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.17 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -123.39 133.76 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.199 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -101.58 112.24 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.215 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.71 121.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.266 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.83 130.34 56.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 99.99 111.162 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -101.03 179.88 4.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.273 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -84.38 162.41 20.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.271 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.76 -39.91 94.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.244 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.96 -40.1 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.198 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.71 157.61 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.247 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -125.01 151.7 45.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.225 174.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -70.34 -22.59 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.158 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.04 -40.04 63.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.137 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.6 m -87.2 -50.76 6.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.177 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.56 -50.03 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.196 -165.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 32.7 tp -65.1 -45.27 72.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.175 -161.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 89.1 Cg_exo -50.1 -42.77 45.15 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.643 1.562 . . . . 99.99 111.31 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.7 -45.98 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.211 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.31 -51.75 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.139 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.0 -47.24 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 99.99 111.293 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.68 -42.9 79.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.272 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.6 -39.55 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.202 -174.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -82.46 10.38 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.091 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 99.99 111.227 171.149 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.86 0.362 . . . . 99.99 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -105.4 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.145 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 93.5 mt -76.53 133.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.116 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.2 mt -93.42 -48.75 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 99.99 111.326 167.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -164.98 155.21 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.198 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.34 120.35 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.205 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -114.61 169.57 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.128 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.01 169.29 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.185 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.5 p -132.41 165.56 35.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.231 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 74.3 Cg_exo -53.95 -31.29 62.72 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.703 1.602 . . . . 99.99 111.209 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -102.4 110.11 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.175 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -69.5 -11.94 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 99.99 111.171 -168.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.16 -11.52 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.176 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -132.96 146.43 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.142 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -113.31 154.12 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.193 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -106.24 120.15 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.135 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -106.92 112.41 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.169 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.2 m -86.88 124.61 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.181 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.52 149.74 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.149 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -84.97 -54.91 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.174 168.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -91.27 136.82 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 99.99 111.154 166.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 9.3 t -117.88 -164.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.205 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -63.4 154.62 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.169 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -41.35 -46.4 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.212 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.06 129.53 9.12 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 99.99 111.167 167.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.444 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 59.3 mtt -87.02 16.86 4.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 99.99 111.23 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p -70.01 164.12 24.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.244 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -76.53 152.19 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.153 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -167.2 160.01 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.187 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -127.11 129.96 48.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.165 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -125.5 129.62 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.276 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -122.68 -25.3 4.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.25 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.43 150.36 39.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.253 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.22 129.52 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.201 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -164.05 170.7 16.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.271 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.56 -19.55 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.269 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p -76.25 -15.16 60.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.161 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.546 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 19.8 mp0 -89.3 150.81 45.51 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.248 176.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -49.91 144.59 20.84 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.653 1.569 . . . . 99.99 111.167 167.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.06 -46.63 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.189 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -54.94 -47.39 74.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.15 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.82 -36.28 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.211 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.21 -48.56 72.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.171 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.71 -47.08 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.162 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.05 -43.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.25 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.57 -37.45 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.168 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -73.36 -23.26 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.246 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.82 123.98 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.161 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.56 125.14 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.224 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.33 -32.29 5.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.266 -0.734 . . . . 99.99 111.266 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.97 125.03 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 99.99 111.227 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -96.72 -56.85 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.225 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -148.47 154.07 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.178 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.1 mt -126.77 131.86 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.175 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -115.87 129.98 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.114 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -113.9 140.11 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.246 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.64 139.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.194 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttm 55.03 -106.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.224 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -136.3 33.29 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 99.99 111.126 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -150.54 156.51 41.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.208 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.53 134.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.255 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.0 t -101.43 111.3 23.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.133 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.48 115.19 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.184 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -110.38 132.98 53.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.124 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -119.53 169.81 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.16 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 154.96 36.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.165 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -57.74 -38.4 75.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.17 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 99.99 111.185 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.84 147.98 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.203 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -116.22 146.32 42.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 99.99 111.218 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -70.1 -24.84 63.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 99.99 111.149 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.04 -39.93 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.176 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.4 m -86.55 -50.42 6.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 99.99 111.228 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.88 -50.7 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.252 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 39.0 tp -64.6 -45.56 76.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.26 -162.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 86.6 Cg_exo -49.79 -42.94 42.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.683 1.589 . . . . 99.99 111.179 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.73 -45.08 76.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.271 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.11 -49.64 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.28 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -43.18 76.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.193 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.04 75.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.181 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.55 -50.96 46.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.127 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -65.17 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.233 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.38 -25.25 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.143 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.3 mt -47.11 -43.58 20.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.217 -171.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -99.83 -30.06 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 99.99 111.135 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.7 21.34 12.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.165 -173.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.46 134.46 56.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.184 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -119.7 151.69 38.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.179 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -160.74 176.04 11.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.189 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -134.98 64.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.143 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.0 m170 . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.183 -178.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.746 0.308 . . . . 99.99 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.48 136.8 49.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 99.99 111.202 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.99 130.16 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 99.99 111.207 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.99 -42.59 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.172 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -161.25 137.43 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.16 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.54 112.89 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.19 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -100.07 153.46 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.13 -174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.52 166.2 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.163 169.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 30.1 p -134.79 164.77 41.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.17 -177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.7 Cg_exo -53.07 -33.51 63.67 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.776 1.651 . . . . 99.99 111.156 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -100.32 107.94 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.192 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -69.81 -10.06 57.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.224 -170.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.65 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.189 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -134.31 146.2 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.22 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.9 mmm -113.49 153.06 29.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.252 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.84 120.0 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.216 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.41 111.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.184 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.8 m -85.03 124.34 31.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.221 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.38 149.12 32.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 99.99 111.229 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t -78.61 -56.58 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.256 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -125.08 82.83 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 99.99 111.171 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.6 p -71.12 172.89 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.175 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.07 140.1 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 99.99 111.189 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -47.28 -40.05 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.194 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.97 70.27 1.8 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.248 -0.741 . . . . 99.99 111.248 174.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.0 mtt -76.14 0.42 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 99.99 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -61.07 161.09 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.182 171.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -64.93 143.63 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.173 -176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -157.78 152.03 24.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.239 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -117.11 128.76 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.221 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -125.04 105.27 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.191 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -118.14 -31.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.188 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.4 mttt -127.66 141.7 51.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.205 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.29 133.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.183 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -159.44 147.47 17.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.175 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.11 -29.99 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.202 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.8 p -69.98 -13.97 62.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 99.99 111.173 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 70.9 mt-30 -89.97 155.83 47.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.243 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.94 133.97 41.3 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.687 1.591 . . . . 99.99 111.129 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.91 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.246 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -55.43 -47.99 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.262 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mm -58.17 -39.8 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.241 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.29 -48.53 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.218 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.96 -47.04 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.173 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.65 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.178 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.45 -37.55 73.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.167 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.51 -22.97 59.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.163 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.05 122.83 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.2 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.81 126.3 27.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.147 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.68 -25.21 9.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.276 -0.729 . . . . 99.99 111.276 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.01 124.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 99.99 111.213 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -95.39 -59.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.2 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.8 p -149.96 148.9 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.199 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -124.96 139.99 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.206 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -126.26 122.61 36.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.194 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -101.97 129.06 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.162 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 128.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.243 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.2 mtp 59.63 -120.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.21 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -118.05 29.19 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.136 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -149.56 155.09 39.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.168 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -123.5 133.81 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.18 -172.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.6 t -100.24 112.32 24.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.405 . . . . 99.99 111.16 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.79 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.221 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.53 127.55 54.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.158 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -97.86 -179.95 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.235 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -84.46 159.97 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 99.99 111.246 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.66 -39.33 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.107 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.02 -40.3 75.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.115 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.68 158.77 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.231 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -123.55 147.6 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.124 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -70.07 -26.18 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.185 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.34 -34.9 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.176 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.0 m -82.7 -49.91 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.198 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.81 -50.27 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.253 -165.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.548 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 30.5 mt -61.75 -45.79 92.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.207 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 79.8 Cg_exo -46.62 -44.0 22.07 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.756 1.637 . . . . 99.99 111.157 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.7 -46.07 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.192 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -49.09 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.268 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.41 -44.11 72.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.218 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.95 77.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.242 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.5 -50.03 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.263 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -67.86 -30.68 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.177 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -104.61 30.03 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.282 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.75 -35.02 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.19 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.01 125.09 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.223 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -76.61 151.08 36.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 99.99 111.133 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -51.14 -47.04 62.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.158 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.17 64.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.127 168.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.83 135.0 57.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.26 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -146.79 165.59 29.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.209 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.3 m170 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.168 -178.173 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 99.99 111.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -110.13 155.29 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.182 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.92 137.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.212 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 98.6 mt -96.09 -53.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.202 166.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -157.26 154.91 29.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.146 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.2 120.19 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.239 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -107.32 157.16 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.141 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.21 167.73 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.207 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 16.8 p -134.32 168.09 19.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.164 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.7 Cg_exo -54.06 -29.27 54.34 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.704 1.603 . . . . 99.99 111.131 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -98.5 110.04 22.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.174 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -51.48 -36.03 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.216 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -79.27 1.85 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.174 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -127.33 137.73 52.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.233 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.7 mmm -120.7 151.61 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.164 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -108.3 128.47 54.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.161 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -115.04 118.31 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.229 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.8 m -88.61 128.06 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.19 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.27 149.49 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.211 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -97.27 -32.61 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.205 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -85.23 144.86 27.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.201 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.8 t -88.66 104.89 17.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.209 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.99 148.5 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.243 173.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -41.72 -45.8 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.205 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.04 130.44 9.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.218 -0.753 . . . . 99.99 111.218 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.444 ' HB3' ' HA ' ' A' ' 58' ' ' MET . 33.4 mmt -92.31 9.71 32.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 99.99 111.259 170.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.3 p -76.89 165.08 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.162 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -74.98 149.19 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.193 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -159.28 155.72 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.288 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -121.27 131.22 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.156 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -127.37 110.99 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.206 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.2 p -120.74 -33.11 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.227 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.2 mttt -122.87 139.71 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.233 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -59.75 133.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.239 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -159.97 159.88 32.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.153 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -74.83 -22.41 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.166 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.1 p -69.49 -15.05 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.193 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 51.1 mt-30 -99.56 151.83 37.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.221 -175.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.08 138.85 35.46 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.558 . . . . 99.99 111.235 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.73 -45.1 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.231 173.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -55.06 -46.97 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.194 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.83 -38.08 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.184 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.1 -48.89 72.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.176 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -56.36 -47.13 79.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.183 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.425 HG23 HG23 ' A' ' 78' ' ' VAL . 93.6 mt -61.85 -44.13 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.174 -177.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -57.64 -36.99 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.27 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.88 -23.94 60.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.154 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.9 120.49 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.228 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.63 125.87 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.157 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -26.38 8.01 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.231 -0.747 . . . . 99.99 111.231 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.73 127.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 99.99 111.181 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.62 -58.86 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.258 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.4 p -154.46 157.82 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.177 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.82 139.42 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.232 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -127.76 129.98 47.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.197 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -119.35 120.9 38.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 p -138.97 140.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 99.99 111.179 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.444 ' HA ' ' HB3' ' A' ' 26' ' ' MET . 98.5 mmm 49.0 -129.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.143 -171.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -109.93 31.34 5.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.181 -170.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -148.31 154.71 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.156 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.1 mt -123.89 134.73 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.218 -176.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -99.29 115.51 29.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.212 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.29 123.34 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.171 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.28 145.57 49.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.253 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -105.96 179.96 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.206 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.31 160.4 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.219 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.81 -38.63 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 99.99 111.196 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.03 -40.57 78.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.224 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.83 160.24 20.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.257 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.66 151.26 48.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.204 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -69.99 -24.58 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.178 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.95 -40.42 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.175 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -86.59 -50.28 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 99.99 111.247 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.48 -49.53 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.196 -166.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 48.0 tp -63.38 -45.7 84.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 99.99 111.248 -162.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.7 Cg_exo -49.97 -42.67 44.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.741 1.627 . . . . 99.99 111.184 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.2 -45.5 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.199 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 45' ' ' ILE . 70.8 t -56.51 -49.3 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.211 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.26 -43.26 74.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.252 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.93 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.157 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -55.37 -49.75 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.167 -172.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.63 -21.45 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.107 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -97.66 5.08 49.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 99.99 111.21 -175.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.81 -30.33 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.265 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -84.46 -9.94 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.194 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -70.42 152.07 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.28 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -49.94 -40.03 42.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.228 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -72.36 -30.12 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.192 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 64.95 -155.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.177 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -170.16 -177.39 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.0 m170 . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.121 -179.139 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.777 0.322 . . . . 99.99 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -159.13 153.21 23.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.131 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.91 131.65 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.262 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.21 -44.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.192 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -162.65 139.85 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.298 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.6 mt -110.44 129.95 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.185 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -117.9 156.38 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.159 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.14 166.99 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.216 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.8 p -132.64 167.29 23.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 99.99 111.214 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.8 Cg_exo -53.97 -31.74 65.02 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.762 1.641 . . . . 99.99 111.152 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -96.24 109.89 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.279 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -70.21 -10.02 57.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.159 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -88.49 1.16 55.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.274 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -141.32 142.22 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.255 174.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.4 mtp -126.05 153.0 45.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.224 -175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.69 127.2 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.179 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.56 103.04 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.231 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -78.96 123.16 27.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.209 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.79 158.97 17.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.273 -174.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -78.5 -55.61 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.161 175.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -135.02 99.1 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.143 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -89.97 -161.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.206 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -43.65 138.89 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.295 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.44 -57.02 2.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.156 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.23 127.54 8.24 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.204 -0.759 . . . . 99.99 111.204 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 mmt -94.82 15.09 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 99.99 111.235 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.9 p -69.78 166.79 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.207 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -73.36 154.83 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.201 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.75 157.87 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.184 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.3 m -120.04 126.92 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.157 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -125.33 104.9 8.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.227 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.1 p -121.84 -24.93 5.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.199 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.35 156.33 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.239 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.22 123.86 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.227 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -162.41 178.97 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.125 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.214 -172.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -72.97 -18.32 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.261 -171.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 13.9 mp0 -81.63 142.29 49.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 99.99 111.192 174.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.4 136.13 39.84 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.723 1.615 . . . . 99.99 111.245 172.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -43.34 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.248 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -57.63 -47.26 82.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.198 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.95 -35.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.205 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.84 -49.91 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.151 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.38 -47.86 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.183 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.55 -44.84 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.237 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.54 -37.9 73.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.159 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.51 -21.58 59.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.207 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.31 122.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.138 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.62 124.98 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.16 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -24.67 8.9 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 99.99 111.157 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.69 125.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 99.99 111.169 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.0 -58.38 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.143 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.2 p -150.69 151.79 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.221 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.9 mt -123.28 136.28 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 99.99 111.172 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -120.94 129.31 53.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.25 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.22 139.89 43.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.262 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.35 147.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.172 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.2 mmm 51.99 -131.52 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.187 -171.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -114.09 45.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.192 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -153.6 162.83 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.272 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.28 135.15 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.159 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -105.9 115.88 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.229 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -107.87 124.26 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.192 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -116.18 124.67 50.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.216 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -95.66 178.67 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.254 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.12 160.61 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.247 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.08 -39.19 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.17 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.96 -40.12 75.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.287 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 158.3 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.235 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.48 153.76 43.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 99.99 111.289 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -72.14 -20.6 61.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.234 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.75 -40.1 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.226 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -87.68 -51.23 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.18 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.53 -47.66 79.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.12 -167.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.4 tp -60.54 -52.96 69.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.249 -164.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.1 Cg_endo -61.98 -34.44 80.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.683 1.589 . . . . 99.99 111.163 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.33 -43.23 82.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.151 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.39 -45.13 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.121 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.72 -43.07 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.229 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.42 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.175 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.1 t -55.86 -49.47 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.233 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -74.99 -14.79 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.114 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.86 -26.4 64.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.18 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.2 -24.98 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.236 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 51.57 59.94 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.255 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -72.49 100.11 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.155 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.34 -20.71 13.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 99.99 111.238 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.94 66.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.143 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -148.38 129.84 14.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.226 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -72.05 122.5 21.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 99.99 111.159 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.1 m170 . . . . . 0 C--O 1.201 -1.492 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.201 175.267 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.72 0.295 . . . . 99.99 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -139.62 124.86 18.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.236 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 18.0 tt -69.89 147.27 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.218 -172.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -54.32 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.19 173.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -161.7 164.64 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.211 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.7 mt -123.01 121.69 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.165 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -109.27 164.9 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.175 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -89.98 168.76 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.249 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.8 p -134.57 166.32 30.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.245 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.8 Cg_exo -53.71 -32.61 66.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.691 1.594 . . . . 99.99 111.196 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -101.4 109.94 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 99.99 111.204 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -69.92 -10.8 59.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.237 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -78.14 -8.71 58.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.216 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -135.01 147.14 49.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.226 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mmm -118.59 154.98 31.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 99.99 111.185 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -106.24 127.15 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.141 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.42 123.78 69.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.159 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -99.83 121.8 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.255 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -110.42 150.25 29.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.203 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -81.07 -36.77 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.146 171.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -126.69 153.06 45.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.14 171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 p -119.34 -170.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.282 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -58.74 171.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.176 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -42.38 -50.72 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.144 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.59 142.85 15.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.257 -0.737 . . . . 99.99 111.257 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.0 mtt -99.11 41.6 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 99.99 111.137 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.3 p -99.57 173.9 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.179 173.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -74.19 148.47 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.102 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.57 159.71 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 99.99 111.17 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -119.08 131.26 55.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.187 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -127.89 120.87 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.189 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.7 p -119.94 -40.48 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.181 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.88 153.85 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.264 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.49 133.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.264 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -156.46 159.96 39.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.262 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.93 -38.21 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.174 -173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -66.62 -19.24 65.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.204 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -85.82 149.97 52.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.241 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -50.45 131.15 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.723 1.615 . . . . 99.99 111.232 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.32 -37.62 48.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.186 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.238 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.45 -39.91 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 99.99 111.222 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.77 -43.07 94.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.252 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.21 -49.9 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 99.99 111.221 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.23 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.212 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.93 -37.29 71.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.159 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -72.81 -26.06 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.218 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.26 123.04 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.19 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.45 125.76 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.188 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.4 -25.69 8.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.175 -0.77 . . . . 99.99 111.175 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.76 124.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 99.99 111.223 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.97 -59.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.199 -175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -145.11 152.27 39.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.22 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.9 mt -128.22 135.84 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.203 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -118.71 127.94 54.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.158 169.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -119.86 117.64 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.234 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.91 139.99 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.19 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm 64.79 -124.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 99.99 111.214 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -121.19 30.94 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.182 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.64 155.14 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 99.99 111.173 175.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -125.65 134.96 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.213 -173.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 t -103.24 115.21 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.195 173.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.17 117.76 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.221 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.28 127.72 54.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.218 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -98.38 179.94 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.27 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.53 160.03 20.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.283 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.06 -39.41 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.127 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.92 -39.98 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.196 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.31 159.47 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 99.99 111.218 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -125.99 147.15 49.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.264 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -69.96 -25.14 63.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.272 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.55 -38.64 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.212 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -81.41 -50.03 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.233 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.83 -51.28 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.213 -164.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 34.7 mt -62.79 -45.43 87.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.196 -162.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 84.3 Cg_exo -46.89 -44.24 22.84 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.676 1.584 . . . . 99.99 111.258 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.62 -44.03 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.233 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.04 -51.35 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.212 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.7 -42.09 74.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.245 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.83 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.234 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -51.86 -47.89 39.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.164 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 67.1 m-85 -80.03 -30.54 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.202 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -74.54 3.9 6.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.316 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.39 -34.98 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.205 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 55.5 39.51 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 99.99 111.213 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 64.2 m170 -82.59 149.91 27.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.184 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -79.09 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 99.99 111.198 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -116.16 81.34 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.274 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 86' ' ' HIS . 78.9 t60 -83.75 131.14 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.159 -175.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -125.98 137.91 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.234 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.192 -178.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.867 0.365 . . . . 99.99 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -131.52 131.67 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.21 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.34 131.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.187 -166.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -99.44 -47.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.156 166.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -163.28 137.31 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.207 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.8 mt -110.58 133.08 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.223 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.4 p -138.92 160.83 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.118 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.49 169.63 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 99.99 111.129 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 43.1 p -124.81 164.54 30.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.159 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 52.3 Cg_exo -55.25 -29.57 67.64 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.716 1.611 . . . . 99.99 111.215 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.28 140.52 30.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.213 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -88.03 154.54 20.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.195 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 76.71 13.31 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.207 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 t -148.65 137.74 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.165 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mtp -130.11 158.65 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.199 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -112.29 128.69 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.206 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.9 122.95 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.22 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.4 m -91.66 123.09 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.221 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -115.04 154.81 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.237 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -81.21 -56.39 4.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.251 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -129.58 81.27 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.094 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -75.03 -170.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.194 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -37.54 133.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.194 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.34 -57.07 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.192 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 117.41 8.08 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.157 -0.777 . . . . 99.99 111.157 173.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.29 6.32 43.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 99.99 111.166 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -72.66 165.83 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.239 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.7 p -74.15 150.82 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.165 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -162.02 157.41 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.234 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m -119.18 135.25 54.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.254 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -122.79 109.24 13.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.172 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.8 p -118.74 -29.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.215 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.23 164.21 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.196 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -86.67 125.54 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.215 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -144.86 160.0 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.128 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -72.12 -31.35 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.216 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -66.49 -15.61 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.257 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -90.11 150.18 42.88 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.165 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.96 137.91 52.54 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.647 1.565 . . . . 99.99 111.175 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.13 54.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.223 171.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -53.69 -45.91 70.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.208 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.21 -40.25 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.225 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.36 -48.31 76.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.216 -173.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.04 -48.15 76.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.247 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.89 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.16 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 mt -54.1 -40.19 67.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.16 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.65 -18.43 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.211 -175.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.82 123.88 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.212 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.24 129.65 42.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.174 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.96 -25.27 11.73 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.191 -0.764 . . . . 99.99 111.191 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.8 t -75.0 125.76 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 99.99 111.168 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.81 -55.99 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.22 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -159.83 157.27 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.161 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -124.92 134.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.22 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -120.28 130.02 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.417 . . . . 99.99 111.212 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -112.73 140.23 47.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.157 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -161.01 144.75 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.309 170.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm 59.18 -125.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.247 -172.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -121.54 41.59 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.216 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.29 164.93 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.203 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -123.82 137.76 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.227 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.5 t -110.34 115.8 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.16 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.69 131.23 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.176 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -123.48 144.98 49.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.155 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -112.19 177.93 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.26 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.69 159.99 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.189 173.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.27 -39.61 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.202 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.03 -40.52 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.174 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.98 158.51 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.192 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -126.28 154.82 42.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.203 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.99 -21.85 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 99.99 111.215 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.75 -36.83 70.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.5 -50.49 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.238 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.56 -50.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.187 -166.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.541 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 63.1 tp -64.25 -46.12 78.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.141 -162.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.3 Cg_exo -49.54 -42.29 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.781 1.654 . . . . 99.99 111.152 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.87 -43.3 72.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.261 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -53.04 -51.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.218 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -53.49 -46.52 70.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.158 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.64 72.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.12 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.7 -48.32 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 99.99 111.135 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.86 -27.35 68.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.205 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.26 -8.45 59.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.22 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.12 -36.06 83.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.22 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 55.53 41.52 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.189 -175.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -93.52 128.1 39.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.21 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -130.02 -5.11 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.24 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -130.12 164.63 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.141 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -72.69 167.72 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 99.99 111.155 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -89.98 151.93 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.205 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.242 0.411 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 97.2 mtp . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.748 0.309 . . . . 99.99 111.288 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -140.57 133.65 29.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.24 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -69.85 148.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.25 -174.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.67 -54.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.286 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -165.13 152.37 10.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.212 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.0 mt -113.38 123.59 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.237 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -110.32 163.02 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 99.99 111.227 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -91.99 167.71 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.241 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.488 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -133.27 168.01 20.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.168 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.488 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 71.0 Cg_exo -54.09 -32.05 67.65 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.731 1.621 . . . . 99.99 111.228 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -102.8 110.1 21.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.173 172.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -67.53 -15.37 63.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.198 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -69.88 -21.24 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.155 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -125.32 150.03 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.207 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.42 158.86 38.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.24 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -105.59 127.56 53.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.184 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.16 114.48 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.179 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.4 m -89.58 123.72 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.266 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.11 154.62 28.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.131 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p -79.13 -36.98 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.132 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 98.2 mt-10 -131.47 160.06 36.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.108 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t -131.73 -162.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.197 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.24 152.08 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.237 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -39.3 -45.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.146 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.35 129.22 9.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.23 -0.748 . . . . 99.99 111.23 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.2 mtt -96.9 18.4 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 99.99 111.227 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -70.57 165.0 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.153 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -68.76 149.96 48.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.215 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -161.73 159.89 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 99.99 111.187 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -121.29 130.11 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.175 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.94 111.53 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 99.99 111.228 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.5 p -121.23 -33.33 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.196 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.54 146.32 49.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.225 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.48 135.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.201 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -158.05 146.57 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.26 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -32.44 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.158 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -69.98 -15.03 62.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.131 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -90.59 153.9 45.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.254 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.13 128.0 21.23 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.77 1.647 . . . . 99.99 111.183 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.61 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.264 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -55.12 -49.56 71.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.224 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.84 -33.33 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.224 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.24 -45.35 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 99.99 111.268 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.52 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.228 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.98 -42.83 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.186 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.83 -38.36 72.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.193 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.8 -21.37 59.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.239 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.51 121.64 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.131 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.9 125.15 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 99.99 111.146 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -24.13 8.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.163 -0.775 . . . . 99.99 111.163 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.92 125.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 99.99 111.252 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.98 -57.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.19 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.5 p -146.5 152.37 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.238 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.81 135.99 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.219 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -122.98 127.45 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.155 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -101.19 126.06 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.227 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.7 p -143.68 134.03 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.28 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.1 ttm 62.68 -124.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.18 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -120.56 31.09 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.182 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.466 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 49.0 p90 -142.07 161.84 36.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.202 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 mm -117.13 132.22 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.233 -170.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -106.3 114.01 27.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.243 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.92 124.94 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.24 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -111.02 126.82 55.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.174 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.92 179.71 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.274 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.25 160.37 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.238 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -40.56 97.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 99.99 111.213 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.97 -40.51 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.239 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.42 159.62 12.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.153 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.82 153.8 46.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.215 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -71.04 -19.93 62.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.156 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.1 -37.5 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.202 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.8 m -87.23 -50.98 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.229 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.83 -46.78 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.186 -168.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 9.1 tt -58.58 -52.87 71.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.212 -165.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.2 Cg_endo -60.98 -35.58 87.05 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.757 1.638 . . . . 99.99 111.179 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.2 -44.37 79.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.137 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.51 -44.7 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.189 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.13 -42.11 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.145 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.36 79.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.187 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.2 -47.18 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.144 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -79.03 -33.51 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.193 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.22 60.03 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.234 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.73 -26.55 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.183 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.18 -34.47 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.169 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -101.78 -5.51 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.225 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -94.35 -54.12 3.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.173 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -116.42 170.34 8.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 99.99 111.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -71.21 168.84 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.205 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -66.67 134.49 52.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.11 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.203 -179.072 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.83 0.347 . . . . 99.99 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -150.38 138.35 20.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.174 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.13 132.2 32.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.161 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.0 mt -104.99 -48.58 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.215 164.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -163.62 135.04 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.141 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -111.64 133.12 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.245 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.8 p -133.58 164.28 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.223 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.81 168.37 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.209 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.523 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 21.8 p -128.17 168.95 13.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.147 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.523 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 73.9 Cg_exo -53.86 -29.12 51.65 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.683 1.589 . . . . 99.99 111.247 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -93.37 111.56 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.117 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -51.71 -37.51 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.192 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.79 -11.4 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.157 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -120.43 138.22 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.218 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mtp -129.8 155.09 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.2 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -108.59 131.07 55.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.18 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -116.04 115.48 49.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.199 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -90.02 122.67 33.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.223 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.62 155.45 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.204 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p -83.02 -52.14 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.258 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -99.05 158.12 15.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 99.99 111.259 169.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 t -137.65 -164.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.301 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.25 152.04 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.223 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -39.69 -46.68 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.208 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 130.99 10.38 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.205 -0.758 . . . . 99.99 111.205 168.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 61.0 mtt -92.59 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 99.99 111.235 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -94.77 167.22 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.145 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 91.5 p -80.09 144.96 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 99.99 111.158 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -167.23 156.53 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.179 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.9 m -120.84 127.11 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.17 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.97 144.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.143 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.5 p -123.18 -25.14 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.23 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.93 154.64 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.175 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -65.59 139.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.197 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -158.24 157.51 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.297 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -76.54 -13.28 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.195 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.2 p -74.62 -14.4 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.169 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.96 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 99.99 111.18 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.19 144.97 21.49 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.698 1.598 . . . . 99.99 111.175 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.1 -39.1 55.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.165 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.51 -36.41 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.169 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mm -80.49 -40.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.166 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -65.56 -46.28 80.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.213 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.79 -47.12 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.155 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.31 -44.56 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.269 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.9 -37.92 72.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.14 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.76 -21.38 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.265 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.82 123.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.202 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.18 125.86 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 99.99 111.228 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -27.64 7.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.306 -0.717 . . . . 99.99 111.306 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.34 128.6 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 99.99 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.52 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.235 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -154.67 157.61 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.113 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.2 mt -128.87 128.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.228 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.21 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.9 t-80 -111.56 134.66 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.175 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -153.99 131.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.236 172.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm 61.64 -124.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.205 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -117.42 34.31 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.237 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 51.7 p90 -149.96 155.46 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.231 175.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.71 137.79 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.234 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -105.0 110.42 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.149 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.19 127.7 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.247 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -127.22 145.8 50.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.147 -175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -110.04 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.224 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.49 165.5 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.245 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.48 -40.13 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.163 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.75 -40.22 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.12 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 158.12 21.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.158 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.37 151.73 47.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.142 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -70.09 -23.4 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.267 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -40.2 64.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 99.99 111.174 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.7 m -85.97 -50.43 7.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.239 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.82 -49.57 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.178 -166.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.6 tp -62.72 -47.26 88.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.191 -163.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.5 Cg_exo -48.86 -44.03 33.22 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.738 1.625 . . . . 99.99 111.247 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -42.51 77.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.134 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -53.57 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.243 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.78 -40.64 76.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.316 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.7 -41.24 77.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 99.99 111.197 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.2 -44.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.15 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -76.93 -35.14 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.201 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -99.21 66.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.228 -175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.85 4.09 54.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.224 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.0 0.58 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.188 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -79.43 145.23 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.2 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -131.49 -4.91 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.212 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -127.32 4.61 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.172 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -120.27 169.66 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.132 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -157.43 164.32 37.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.224 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.5 m80 . . . . . 0 C--O 1.201 -1.478 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.21 -178.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.778 0.323 . . . . 99.99 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -132.27 129.3 39.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 99.99 111.214 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -63.32 143.07 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.222 -176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.6 mt -105.54 -53.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.202 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -160.34 165.78 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.19 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.88 124.71 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.219 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.8 p -112.99 160.8 17.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 99.99 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.36 168.67 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.228 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.1 p -133.37 166.91 25.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.287 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.8 Cg_exo -54.85 -30.86 70.15 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 121.761 1.641 . . . . 99.99 111.223 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -101.83 110.3 22.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.287 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -67.82 -14.28 62.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.216 -171.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.32 -20.39 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.206 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 t -131.86 149.96 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.222 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.2 mtp -126.33 160.29 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.153 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -107.44 127.58 53.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.175 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.3 mt -116.62 121.25 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.21 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.9 m -95.13 127.03 40.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.172 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -113.48 155.98 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.224 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -77.3 -52.53 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.22 175.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -112.04 174.32 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.152 166.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.3 t -136.97 -167.82 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.195 -170.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -53.75 156.76 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.243 171.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -38.57 -48.88 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.248 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.61 142.62 16.4 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.226 -0.749 . . . . 99.99 111.226 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.9 mtt -93.78 41.28 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 99.99 111.147 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 p -99.6 164.94 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.152 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -70.1 154.59 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.13 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -162.87 154.68 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.263 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -119.97 128.68 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.173 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -123.93 105.05 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.232 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.1 p -119.11 -42.74 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.119 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.43 139.72 50.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.226 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.93 123.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -137.53 161.07 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.194 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.27 -30.34 64.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.209 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.5 p -65.62 -17.83 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.152 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 56.2 mt-30 -89.99 149.31 41.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 99.99 111.189 -176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.7 Cg_exo -51.47 135.54 47.53 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.705 1.603 . . . . 99.99 111.238 174.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.83 -44.78 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.188 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HB2' HG13 ' A' ' 81' ' ' VAL . 43.5 p90 -71.94 -24.63 61.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.207 -176.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.421 HG12 ' HB2' ' A' ' 39' ' ' PRO . 30.9 mm -71.78 -34.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.153 169.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.22 -42.29 99.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.231 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.91 -48.69 72.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.211 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.32 -45.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.16 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.99 -37.58 77.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.2 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.96 -18.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.171 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.01 125.03 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.107 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 126.41 27.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 99.99 111.278 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.55 -22.4 24.33 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.222 -0.751 . . . . 99.99 111.222 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.4 t -76.34 125.04 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 99.99 111.197 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -99.67 -51.56 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.222 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -146.85 132.74 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.186 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -113.16 117.97 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.203 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -113.62 126.81 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.171 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.0 136.3 40.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.166 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.22 131.43 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.197 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 54.51 -105.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.219 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -135.76 32.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.247 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -149.98 159.09 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.124 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.05 136.04 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.228 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -100.55 111.79 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 99.99 111.062 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.4 t -104.55 115.08 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.203 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -111.45 122.84 48.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.214 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -99.95 -179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.283 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.06 144.94 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 99.99 111.213 167.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.55 -35.41 80.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.188 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.48 -40.99 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.212 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 167.99 6.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -123.94 152.39 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.192 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -70.61 -23.07 62.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.19 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.43 -39.89 64.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.235 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.23 -50.41 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.157 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.99 -50.11 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.145 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 29.7 tp -64.54 -45.49 76.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 99.99 111.145 -161.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.0 Cg_exo -51.02 -43.86 45.52 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.821 1.681 . . . . 99.99 111.17 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.05 -48.01 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.238 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.89 -45.07 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 99.99 111.191 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -54.4 -44.2 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.275 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.0 -38.11 67.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.493 . . . . 99.99 111.135 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 41' ' ' PHE . 74.2 t -61.53 -39.27 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.292 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -79.7 4.3 16.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.194 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -102.05 8.76 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.274 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.41 -21.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.202 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 58.39 45.45 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.233 -173.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CE1' ' O ' ' A' ' 91' ' ' HIS . 66.8 t-80 -68.91 141.95 54.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.257 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -49.49 135.13 18.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 99.99 111.112 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.8 -46.17 74.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 99.99 111.271 -175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -85.09 -174.41 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.161 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 64.85 -155.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 99.99 111.204 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.536 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 97.0 m-70 . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.239 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.782 0.325 . . . . 99.99 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -149.79 126.18 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.203 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 tt -92.17 149.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.245 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -102.73 -55.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 99.99 111.196 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -169.0 165.47 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.174 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.412 HG22 ' HE3' ' A' ' 15' ' ' MET . 64.7 mt -121.51 126.25 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.23 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.7 t -121.75 133.94 54.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.214 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -63.78 160.17 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.228 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 36.9 p -125.53 165.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.202 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 50.2 Cg_exo -56.74 -25.0 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.602 1.534 . . . . 99.99 111.113 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -82.07 108.93 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.163 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -59.47 136.84 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.206 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 77.81 12.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.139 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -135.34 136.21 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.301 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.412 ' HE3' HG22 ' A' ' 6' ' ' ILE . 91.2 mtp -129.96 155.07 46.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 99.99 111.234 -178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -106.7 130.36 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.124 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -106.56 121.23 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.186 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.0 m -100.38 120.09 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.165 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -108.3 139.22 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.193 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -74.9 -41.4 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.239 167.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.21 121.88 27.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.244 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -99.11 -164.12 1.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 99.99 111.195 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -53.29 142.04 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.263 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -43.13 -45.53 5.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.196 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.93 117.18 5.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.124 -0.791 . . . . 99.99 111.124 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.26 42.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.314 . . . . 99.99 111.14 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.2 p -85.0 164.95 17.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.217 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -78.45 128.77 34.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.132 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -143.18 153.43 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.187 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -114.16 129.88 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.202 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -122.76 110.49 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.238 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.4 p -121.11 -26.6 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 99.99 111.165 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 89.1 tttt -135.07 130.12 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.172 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.55 132.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.089 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -159.82 148.15 17.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.211 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.97 -29.86 70.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.101 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -69.94 -13.96 62.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.146 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 66.1 mt-30 -90.06 154.62 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 99.99 111.178 -178.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HB2' HG12 ' A' ' 42' ' ' ILE . 64.1 Cg_exo -48.38 132.68 24.6 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.736 1.624 . . . . 99.99 111.085 171.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.65 -42.19 61.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.22 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -54.7 -50.04 69.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.201 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.1 mm -57.83 -39.49 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.238 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.04 -49.01 74.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 99.99 111.192 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.48 -46.04 80.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.245 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG23 ' A' ' 78' ' ' VAL . 96.0 mt -62.08 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.204 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.97 -36.95 75.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.22 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -72.73 -21.25 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.098 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.98 119.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.216 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.87 124.81 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.167 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.11 -28.65 6.52 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 99.99 111.207 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.06 126.82 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 99.99 111.193 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.0 -59.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.183 -174.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -151.97 151.56 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.178 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -125.69 139.57 50.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.264 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -124.72 122.48 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.304 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -115.29 112.01 21.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.286 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -133.35 135.03 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.172 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.7 mtp 57.25 -123.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.263 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -115.84 27.52 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.194 -172.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 54.5 p90 -147.35 155.21 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.116 177.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -125.96 129.86 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.201 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 t -100.34 119.67 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.151 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.5 t -118.12 127.83 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.215 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.72 146.8 50.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.215 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.02 179.78 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.261 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.62 162.94 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.215 172.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.64 -39.35 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.18 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.25 -40.26 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.256 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.32 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.29 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.6 152.74 47.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 99.99 111.263 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -69.97 -21.22 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.232 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -37.77 70.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.15 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.21 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.62 -50.01 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.244 -167.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.541 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.5 tp -62.82 -47.05 88.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 99.99 111.229 -162.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.6 Cg_exo -48.81 -44.01 33.03 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.632 1.555 . . . . 99.99 111.18 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.11 -44.51 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.142 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 45' ' ' ILE . 71.2 t -56.12 -50.67 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.212 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.69 -42.78 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.244 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.96 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.134 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.91 -45.55 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.294 -176.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.75 -13.53 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.249 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -93.25 5.91 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.193 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.23 -23.21 57.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.282 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 58.5 40.31 24.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.2 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -82.78 144.24 30.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.188 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.87 129.31 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 99.99 111.142 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -131.37 160.03 36.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.188 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -158.72 173.9 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.189 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -70.39 167.79 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.16 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.4 m170 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.22 178.102 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.842 0.353 . . . . 99.99 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -162.89 133.79 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.167 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.05 129.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.178 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.1 mt -100.79 -45.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.194 164.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -162.19 130.36 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.191 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -108.42 125.27 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.144 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.3 p -133.29 171.94 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 99.99 111.164 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.58 169.84 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.151 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 31.8 p -128.09 166.42 24.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.107 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 60.5 Cg_exo -55.12 -29.39 65.61 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.662 1.575 . . . . 99.99 111.25 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -97.65 139.11 34.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.208 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -85.71 157.27 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.198 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 73.78 13.63 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.182 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 t -149.85 138.8 21.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.29 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mtp -129.7 159.71 35.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.186 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -108.83 130.62 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.182 -174.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.63 104.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.254 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.1 m -78.6 125.63 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 99.99 111.15 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -113.59 153.7 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.115 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -73.7 -51.28 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.226 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -144.98 109.47 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.146 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.5 t -89.98 -159.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.21 -174.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -56.51 168.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.236 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -48.47 -49.45 35.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.207 -173.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.63 145.8 17.93 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.171 -0.772 . . . . 99.99 111.171 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mmt -94.24 10.21 34.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 99.99 111.201 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 166.12 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.181 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -73.9 153.38 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.11 -176.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -163.72 154.64 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.132 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.6 m -117.54 127.1 53.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.229 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -124.95 105.96 9.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.184 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.9 p -120.74 -22.98 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.165 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.58 155.07 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.249 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -92.11 125.06 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.252 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -169.59 174.98 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.172 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.83 -30.99 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.247 -173.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 91' ' ' HIS . 84.2 p -72.89 -14.64 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.151 -174.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.646 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 15.5 mp0 -89.88 145.58 33.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.253 173.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.44 137.18 48.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.729 1.619 . . . . 99.99 111.167 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.26 -54.9 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.184 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -53.6 -45.69 70.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.197 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mm -57.56 -39.25 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.241 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.31 -46.16 89.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 99.99 111.15 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.85 -48.32 78.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.161 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.55 -41.14 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.217 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.29 -39.0 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.138 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.11 -19.56 58.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.163 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.42 123.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.176 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.19 125.05 22.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.32 -26.9 9.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 99.99 111.182 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -74.1 125.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 99.99 111.091 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.01 -57.72 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.248 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -148.21 154.0 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.132 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.03 138.52 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.278 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -124.73 127.68 47.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.228 172.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -106.51 141.59 37.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.215 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' A' ' 58' ' ' MET . 8.2 p -161.94 145.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.222 172.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.416 ' HG2' HG23 ' A' ' 57' ' ' VAL . 99.5 mmm 59.15 -123.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.249 -175.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.37 42.38 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.253 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.84 163.02 40.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.294 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.9 mt -117.13 134.77 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.264 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -104.92 120.25 40.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.215 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.91 122.35 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.214 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -112.14 122.11 46.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.178 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -98.96 179.94 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.182 -175.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.4 153.5 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.254 170.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.86 -37.07 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 99.99 111.206 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.38 -40.45 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.199 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.83 158.49 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.245 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.39 149.92 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.226 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.164 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.05 -34.91 70.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.131 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -81.96 -49.93 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.158 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.1 -50.3 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.133 -167.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 36.5 mt -62.02 -46.4 91.75 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.438 . . . . 99.99 111.173 -161.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 94.1 Cg_exo -47.59 -45.81 22.43 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.759 1.639 . . . . 99.99 111.206 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.61 -46.06 60.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.216 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.61 -45.38 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.242 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.6 -43.75 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.205 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.63 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.168 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.63 -47.43 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.166 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -81.66 -38.62 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.244 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.97 -29.81 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.206 -174.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.176 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 51.64 39.82 25.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.238 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -83.49 178.48 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.157 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -50.13 130.67 22.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.174 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -143.7 130.05 19.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 99.99 111.156 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -157.08 170.77 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.128 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -155.01 165.09 37.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.163 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 37' ' ' SER . 79.9 m80 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.293 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 96.1 mtp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.754 0.312 . . . . 99.99 111.252 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.1 130.0 28.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.155 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.0 147.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.223 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 99.3 mt -105.03 -54.99 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.172 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -164.93 162.3 20.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.23 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.61 124.34 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 99.99 111.169 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -109.45 162.88 13.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.221 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.77 168.59 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.231 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 17.8 p -133.35 167.52 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.215 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.4 Cg_exo -54.12 -31.6 65.88 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.662 1.575 . . . . 99.99 111.266 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -100.69 110.1 22.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.194 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -69.68 -11.37 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.13 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.21 -17.59 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.5 t -132.48 146.92 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.219 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.57 155.32 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.221 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -105.81 126.73 52.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.143 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.3 mt -108.76 119.92 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.216 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.3 m -95.62 123.2 39.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -110.68 152.55 26.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.214 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -81.12 -41.12 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.196 170.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 97.6 mt-10 -129.87 144.63 51.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.204 171.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 m -110.53 -176.1 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.214 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -53.43 161.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.184 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -41.03 -53.17 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.222 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.34 134.66 12.78 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.162 -0.775 . . . . 99.99 111.162 174.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -104.95 20.0 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 99.99 111.153 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -77.46 165.01 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.206 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -74.61 147.26 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.165 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -164.64 154.98 14.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.164 170.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -119.18 130.03 55.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.166 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -126.11 112.58 16.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.235 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -117.4 -24.94 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.276 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.92 141.9 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.23 -177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -63.06 127.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.184 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -155.06 171.7 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.183 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -78.28 -9.99 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.194 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -73.96 -20.45 60.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.161 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -94.55 154.03 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.132 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -50.86 145.07 25.13 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.718 1.612 . . . . 99.99 111.176 166.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.13 -44.81 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.21 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.476 ' HB2' HG13 ' A' ' 81' ' ' VAL . 38.5 p90 -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.226 -173.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -76.56 -33.57 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.149 169.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.89 -39.71 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.176 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' HG21 ' A' ' 48' ' ' VAL . 99.4 m-20 -52.73 -48.66 66.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.425 . . . . 99.99 111.145 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.57 -46.49 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.194 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.65 -38.2 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.228 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -75.64 -20.79 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.171 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 44' ' ' ASP . 73.8 t -63.05 120.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.205 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 124.74 19.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.154 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.09 -30.96 4.87 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 99.99 111.188 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.97 121.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 99.99 111.186 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -101.78 -50.07 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.253 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -145.15 134.84 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.156 -174.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -118.76 121.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.122 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -115.36 125.25 52.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.222 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -116.48 120.21 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.242 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG23 ' HG2' ' A' ' 58' ' ' MET . 11.2 p -147.16 140.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.206 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.433 ' HG2' HG23 ' A' ' 57' ' ' VAL . 99.7 mmm 58.03 -122.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.233 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.31 40.03 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -151.78 156.07 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.194 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.95 132.44 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 99.99 111.234 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 t -104.92 122.78 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.205 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -112.86 120.04 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.185 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -111.21 130.81 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.17 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -100.06 -179.96 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.207 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.19 160.59 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.24 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.01 -39.22 93.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.183 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.11 -41.71 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.169 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.56 166.11 21.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.253 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.6 160.0 30.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.173 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -72.51 -20.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.216 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.8 -40.09 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.157 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -85.77 -50.88 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.224 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.78 -49.71 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.215 -167.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 62.4 tp -63.96 -46.37 80.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.22 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.0 Cg_exo -49.82 -43.19 41.82 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.775 1.65 . . . . 99.99 111.173 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.69 -47.41 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.177 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.87 -49.48 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.206 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.67 -45.51 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.192 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.53 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.2 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 41' ' ' PHE . 47.0 t -59.42 -42.3 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 99.99 111.187 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -84.95 13.71 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.125 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -105.41 0.08 26.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.23 165.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.3 mt -68.65 -38.36 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 99.99 111.233 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 58.48 34.92 24.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.134 -172.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -104.98 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.223 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -52.86 134.41 37.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.132 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -60.47 158.86 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.238 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -85.02 174.89 9.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.187 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -121.3 174.47 6.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.203 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.146 -179.328 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.896 0.379 . . . . 99.99 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -127.92 141.84 51.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.245 -174.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.59 134.75 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.196 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -103.42 -47.89 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.246 170.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -161.51 130.21 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.221 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -105.01 130.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.164 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -136.96 161.66 35.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.202 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.62 169.49 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.212 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.483 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.5 p -127.84 167.25 19.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.196 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.9 Cg_exo -53.62 -32.28 63.82 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.773 1.648 . . . . 99.99 111.182 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -102.99 109.98 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.197 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -65.46 -15.55 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.185 -171.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.02 -27.44 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.236 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 t -122.62 149.87 43.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.227 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.7 ttm -127.11 143.96 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.257 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.52 129.91 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.175 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.08 108.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.189 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.1 m -81.55 122.29 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.173 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -114.2 159.84 19.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.135 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p -79.99 -51.21 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.24 167.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -109.59 129.74 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.125 164.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -96.98 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.219 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -41.55 148.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.155 158.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -41.46 -58.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.19 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.43 157.31 38.26 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.217 -0.753 . . . . 99.99 111.217 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.7 mmt -105.78 14.94 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 99.99 111.212 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -85.09 171.05 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.221 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.1 p -80.0 145.49 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.16 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -166.5 158.16 13.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.237 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.6 m -125.69 130.07 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.093 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -128.97 143.47 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.136 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.4 p -124.82 -25.36 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.15 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.6 150.1 41.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.248 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.68 136.76 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.206 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.33 143.95 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.216 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.39 -23.7 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 99.99 111.151 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.8 p -69.92 -14.93 62.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.111 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -94.77 152.38 39.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.181 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.77 138.14 26.33 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.684 1.59 . . . . 99.99 111.254 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.81 -38.49 34.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.132 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -53.57 -53.51 50.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.187 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.49 -33.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.195 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.06 -46.8 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.215 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.07 -45.49 83.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.238 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 HG23 ' A' ' 78' ' ' VAL . 92.2 mt -59.57 -41.7 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.183 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.46 -38.94 75.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.17 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -76.74 -17.31 59.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.213 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.18 124.04 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.195 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.7 124.86 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.241 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.58 -29.9 7.57 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.284 -0.726 . . . . 99.99 111.284 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.99 126.49 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 99.99 111.186 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.99 -50.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.218 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -146.13 154.71 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.176 -174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.04 124.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 99.99 111.144 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -110.73 127.97 55.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.065 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -109.36 140.35 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.314 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.12 145.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.156 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 55.01 -105.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.18 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -141.71 33.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.275 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -145.32 164.94 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.227 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -113.4 134.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.227 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.7 t -107.67 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.192 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.54 117.58 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.198 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -105.36 119.72 39.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.227 -176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -99.69 -179.95 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.229 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.05 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.209 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.6 -40.44 91.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 99.99 111.122 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.84 -41.43 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.218 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.96 161.73 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.082 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -119.14 153.56 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 99.99 111.177 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.23 -21.29 63.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.256 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.03 -36.05 70.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.204 175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.3 m -86.25 -50.42 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.136 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.04 -50.33 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.241 -167.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 57.0 tp -63.83 -46.33 81.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.181 -161.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.3 Cg_exo -48.67 -44.15 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.759 1.639 . . . . 99.99 111.102 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 -45.96 62.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.182 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 45' ' ' ILE . 69.9 t -60.68 -48.58 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.225 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.89 -42.5 72.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.143 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.93 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.187 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.1 -47.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.21 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -69.77 -16.92 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.236 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -87.27 -1.41 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.175 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.5 mt -82.49 144.65 30.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.158 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.97 3.39 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.195 173.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -85.13 68.42 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 99.99 111.165 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -75.04 125.18 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.222 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -135.09 68.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.154 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -155.31 135.82 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.223 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -158.38 167.09 30.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.155 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.172 179.205 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 98.5 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.77 0.319 . . . . 99.99 111.174 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -136.73 131.55 33.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.7 mt -72.71 135.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.197 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.64 -44.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.215 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -150.88 127.86 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.201 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.69 132.72 59.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.264 171.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -136.97 168.16 20.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.239 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.24 169.89 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.206 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 p -129.49 167.96 18.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 99.99 111.19 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.7 Cg_exo -53.81 -30.53 57.67 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.706 1.604 . . . . 99.99 111.252 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -100.18 110.02 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.186 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -67.28 -14.51 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.242 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.5 -23.08 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.219 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 8.0 t -125.44 149.87 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.171 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.5 mtp -125.7 158.63 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.241 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -105.89 125.65 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.172 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.76 111.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.247 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.9 m -99.37 125.08 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.221 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.33 169.86 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 99.99 111.134 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -83.01 -52.9 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.183 173.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 97.5 mt-10 -100.05 158.22 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.257 168.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.419 ' HB3' ' HE3' ' A' ' 26' ' ' MET . 9.4 t -137.5 -163.98 1.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.168 -173.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -58.97 141.06 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.209 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -40.26 -49.48 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.216 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.9 125.38 8.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.207 -0.757 . . . . 99.99 111.207 166.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.419 ' HE3' ' HB3' ' A' ' 22' ' ' SER . 67.3 mtt -97.67 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 99.99 111.203 -169.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p -90.45 165.88 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.249 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -76.48 120.89 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 99.99 111.277 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -144.46 130.19 19.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.149 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -109.88 125.18 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.215 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.92 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.224 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.5 p -116.73 -26.74 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.222 170.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.64 160.18 20.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.149 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.04 158.71 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.19 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -165.05 159.82 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.222 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -73.37 -19.86 60.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.233 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.2 p -75.37 -14.93 60.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.216 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.36 153.82 38.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.223 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.59 141.88 32.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.81 1.673 . . . . 99.99 111.137 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.14 -41.46 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.223 170.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -55.08 -50.06 70.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.131 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.27 -32.68 59.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.148 -174.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.0 -49.93 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.192 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.92 -46.65 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.113 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 HG23 ' A' ' 78' ' ' VAL . 84.6 mt -60.25 -43.8 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.149 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.9 -36.71 77.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.328 -0.396 . . . . 99.99 111.197 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.36 -23.38 60.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.076 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.21 124.84 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.193 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.91 130.01 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.196 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.51 -30.53 6.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.244 -0.743 . . . . 99.99 111.244 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.95 125.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 99.99 111.116 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.11 -58.63 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.214 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 91.2 p -147.66 154.99 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.142 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -133.1 130.82 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.185 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -113.9 127.38 55.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.207 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -108.81 139.19 43.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.223 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -158.63 138.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.192 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp 55.18 -116.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.225 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -122.98 28.65 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.189 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 52.6 p90 -149.7 158.97 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.154 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.07 136.49 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.166 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -100.94 109.97 21.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.205 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 14' ' ' THR . 95.4 t -104.72 119.11 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.186 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -111.86 119.98 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.143 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -98.73 165.39 11.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.252 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.09 155.33 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 99.99 111.267 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.53 -39.29 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.187 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.76 -40.78 75.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.252 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.41 147.12 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 99.99 111.154 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.76 148.38 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.203 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -69.91 -22.92 63.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.153 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -56.27 -37.37 69.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.271 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.36 -50.23 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.146 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.45 -50.55 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.114 -166.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.4 tp -62.53 -46.87 89.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.112 -163.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.9 Cg_exo -49.48 -44.43 34.9 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.665 1.577 . . . . 99.99 111.247 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.27 -46.3 64.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 99.99 111.26 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 45' ' ' ILE . 74.0 t -57.36 -51.5 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 99.99 111.292 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.12 -43.86 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.246 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.23 -41.76 76.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.226 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.24 -49.01 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.174 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -63.05 -27.58 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.245 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.49 -1.03 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.145 -175.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.72 -36.52 84.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.179 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 54.86 37.72 29.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.236 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -110.5 -3.16 16.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.166 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -72.1 119.16 15.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.176 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -70.64 129.81 40.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.094 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -159.0 164.81 35.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.195 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -122.46 -18.62 6.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.225 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.173 -179.101 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 tpp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 99.99 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -153.5 117.87 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.242 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.48 147.68 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.19 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -105.02 -55.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.14 170.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -162.84 169.49 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.192 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 130.89 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.255 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.2 t -116.5 133.51 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.233 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.07 171.36 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.217 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.7 p -134.97 166.84 26.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.194 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 54.2 Cg_exo -54.9 -28.79 60.55 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.586 1.524 . . . . 99.99 111.185 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -96.7 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.236 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -50.19 -39.89 45.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.144 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.94 -22.64 67.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.152 -164.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -124.35 146.35 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.256 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.9 mtp -133.62 155.02 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.146 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -108.95 130.34 55.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.247 -174.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.08 125.75 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.132 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -93.56 130.09 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.3 mt -106.6 153.16 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.17 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.8 p -79.06 -16.32 56.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.151 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -70.56 148.56 48.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.171 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -80.09 159.96 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.124 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -77.54 -19.92 54.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.227 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -70.07 120.06 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.132 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.78 3.45 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.184 -0.767 . . . . 99.99 111.184 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.4 138.55 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 99.99 111.2 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p -116.29 164.99 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.194 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -78.96 158.16 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.234 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -167.01 158.76 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.172 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.4 m -118.53 130.1 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.156 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.92 107.13 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.214 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -115.08 -46.84 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.213 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.76 143.79 44.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.195 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.12 128.96 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.172 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.37 146.3 28.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.167 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.175 -175.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -69.09 -14.84 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.185 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -89.44 156.35 48.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.223 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.8 Cg_exo -54.91 145.52 61.89 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.706 1.604 . . . . 99.99 111.174 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.208 171.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -73.07 -7.73 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.26 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 39' ' ' PRO . 32.2 mm -89.27 -42.23 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.229 167.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.27 -45.41 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.241 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -54.69 -49.18 71.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.159 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.47 -42.85 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.256 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.85 -38.19 64.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.228 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.78 -20.34 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 99.99 111.114 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.68 124.76 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.196 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.57 127.7 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.324 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.48 -28.68 8.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.282 -0.727 . . . . 99.99 111.282 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.33 128.59 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 99.99 111.217 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.77 -57.03 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.226 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -158.67 155.51 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.225 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -124.49 139.83 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 99.99 111.176 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -126.65 131.21 51.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.151 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.41 140.61 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.157 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.04 135.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.229 172.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtt 54.4 -104.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.266 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -132.61 25.09 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.236 -167.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.75 161.04 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.187 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -122.46 133.65 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 99.99 111.186 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -103.94 114.43 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.22 175.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.8 129.13 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 99.99 111.137 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.09 146.05 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.174 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -120.76 170.06 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.251 -175.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -74.54 155.25 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.2 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.21 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.48 -40.45 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.267 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.12 154.83 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.172 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -120.07 149.89 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 99.99 111.261 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -70.06 -19.78 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.184 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.68 -39.19 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.181 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.2 m -86.39 -50.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.148 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.7 -49.07 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 99.99 111.32 -167.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 51.2 tp -63.03 -46.4 86.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.211 -162.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 81.3 Cg_exo -48.7 -43.25 34.77 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.762 1.642 . . . . 99.99 111.182 177.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.85 -44.41 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.229 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.38 -54.14 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.179 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.48 -45.38 76.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.252 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.38 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.152 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.55 -40.0 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.157 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.98 4.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.245 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.69 41.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.245 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.94 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.211 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 55.04 43.11 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.278 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -107.9 149.98 27.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.22 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.43 -21.8 57.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 99.99 111.131 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -102.4 177.08 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.229 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -167.27 164.21 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.262 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -77.26 143.37 38.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.159 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.235 173.155 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.85 0.357 . . . . 99.99 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.47 125.15 20.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.184 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.91 129.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.187 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -94.79 -45.03 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.181 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -162.35 139.8 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.143 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -111.26 115.25 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.192 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.8 p -113.86 165.42 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.122 -174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.42 169.74 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 99.99 111.276 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -130.65 168.27 17.74 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.207 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.4 Cg_exo -53.75 -30.15 55.31 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.652 1.568 . . . . 99.99 111.241 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -101.97 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.157 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -67.05 -14.55 63.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.189 -170.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.78 -20.52 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.197 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 7.1 t -126.3 147.83 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.188 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.2 mtp -126.7 158.91 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.18 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -108.59 123.02 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.279 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.45 109.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.222 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -88.81 126.84 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.14 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.36 153.3 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 99.99 111.171 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.5 p -73.07 -37.56 66.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.233 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -150.55 122.89 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.209 170.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t -90.48 -160.42 0.7 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.114 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -58.44 166.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 99.99 111.226 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -41.05 -53.59 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.231 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.94 133.7 12.02 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.231 -0.748 . . . . 99.99 111.231 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.3 mmt -104.26 8.34 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 99.99 111.283 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.8 p -74.31 163.77 27.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.187 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -75.51 149.75 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.194 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.16 159.18 25.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.209 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -121.28 128.62 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.241 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.23 138.06 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.147 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -125.1 -71.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.134 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.69 150.13 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.239 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.5 132.77 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.197 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -156.72 159.88 38.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.151 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -73.95 -31.43 63.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.304 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.4 p -65.21 -17.9 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.178 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -89.99 151.2 44.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.138 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.12 136.12 37.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.708 1.605 . . . . 99.99 111.207 170.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.63 64.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.232 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -66.69 -31.99 73.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.176 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.17 -38.54 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.194 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.53 -44.1 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.224 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.59 -47.45 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.143 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.98 -46.03 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.216 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.57 -36.35 78.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.13 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.15 -18.61 61.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.232 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.53 120.17 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.147 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.61 124.97 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.216 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.59 -20.85 17.6 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.198 -0.761 . . . . 99.99 111.198 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.13 125.55 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 99.99 111.108 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -95.18 -59.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 99.99 111.171 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.3 p -144.74 156.44 44.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.222 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -127.23 136.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 99.99 111.236 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -121.22 121.79 38.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.271 167.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -115.32 114.28 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.199 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -141.6 138.7 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 99.99 111.17 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm 64.75 -121.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.225 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -126.21 39.87 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.248 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 50.3 p90 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.235 174.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mm -114.65 136.79 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.173 -175.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.5 t -102.89 107.3 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 99.99 111.189 168.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 14' ' ' THR . 84.6 t -104.82 118.09 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.159 -175.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -110.74 123.69 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.156 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -97.35 179.95 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.286 -176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.53 158.75 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.26 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.92 -39.94 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.175 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.04 -40.55 75.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.214 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 158.64 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 99.99 111.169 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -124.22 151.39 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.141 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -70.3 -23.17 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.227 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -41.1 65.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.141 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.8 m -87.35 -50.96 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 99.99 111.194 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.36 -47.68 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.154 -167.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.1 tp -61.46 -52.93 66.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.244 -164.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 23.5 Cg_endo -62.47 -36.19 67.26 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 99.99 111.151 -176.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.47 -44.13 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 99.99 111.145 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.78 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.178 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.63 -40.92 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.161 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.38 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.308 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.39 -39.96 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 99.99 111.243 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -91.12 37.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.225 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -109.71 37.6 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.257 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.7 mt -84.79 124.63 31.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 99.99 111.236 -172.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.66 -50.15 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.157 172.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -95.78 138.29 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 99.99 111.249 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.04 136.67 45.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.191 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.81 128.84 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.252 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -93.27 81.94 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.195 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -148.0 129.88 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.206 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.172 -177.105 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 mtm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.792 0.329 . . . . 99.99 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.39 129.98 27.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.231 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 19.9 tt -65.95 149.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.169 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.28 -45.15 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.173 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -163.24 167.13 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.94 123.7 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.221 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -104.98 141.49 36.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.18 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -76.89 162.28 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.167 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 61.8 p -138.03 163.4 48.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.245 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 44.2 Cg_exo -55.9 -27.75 64.72 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.674 1.583 . . . . 99.99 111.197 174.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.64 156.44 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.149 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.52 -50.0 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.235 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -73.67 -14.4 61.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.156 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 t -133.74 140.59 47.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.228 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.6 mtp -127.63 173.4 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.277 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -106.6 129.95 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 99.99 111.185 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.88 127.53 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.172 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -95.26 129.79 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.262 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.04 155.12 44.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.169 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.6 p -83.22 -52.47 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.196 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -110.98 159.25 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.155 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 p -122.61 -167.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 99.99 111.221 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -58.23 173.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.207 162.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -39.61 -48.33 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.175 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 176.85 17.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 99.99 111.224 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.412 ' SD ' ' HB3' ' A' ' 59' ' ' ASP . 23.9 mmt -98.75 40.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 99.99 111.137 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p -85.01 164.91 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.153 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.48 160.3 17.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.24 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -165.64 154.89 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.221 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -119.33 129.3 54.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.199 -176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -124.51 104.99 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.204 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -119.42 -30.95 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.237 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -125.21 152.17 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.178 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.25 133.34 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.11 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.53 146.83 19.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 99.99 111.215 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.29 -31.14 71.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.232 -175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -70.12 -13.55 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.212 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.79 152.86 42.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.196 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HB2' HG12 ' A' ' 42' ' ' ILE . 53.7 Cg_exo -50.6 137.18 41.4 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.69 1.593 . . . . 99.99 111.097 174.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.15 -47.5 65.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.154 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -70.05 -25.34 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 99.99 111.297 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.4 mm -71.75 -34.05 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.196 171.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.92 -44.64 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.246 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.22 -50.05 74.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.24 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 78' ' ' VAL . 15.2 tt -63.74 -34.2 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.216 -174.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.26 -37.39 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.22 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.33 -22.03 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.216 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.34 122.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.248 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.86 128.27 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.23 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.45 -32.64 6.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.226 -0.75 . . . . 99.99 111.226 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.29 125.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 99.99 111.148 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -99.08 -52.25 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.178 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -145.7 139.85 26.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.242 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mm -117.75 126.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -123.4 126.68 47.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.309 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -99.9 124.72 45.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.235 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -133.85 131.29 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 99.99 111.21 172.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.3 ttm 54.59 -105.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.206 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 57.9 p-10 -130.41 24.4 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.134 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.98 165.1 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.167 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.14 127.31 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.19 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -91.98 125.58 36.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.203 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -113.85 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.317 -0.402 . . . . 99.99 111.191 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.71 127.04 53.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.191 176.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -97.25 -179.93 4.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.208 -174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -84.98 156.86 20.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.206 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.8 -40.03 94.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.201 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.09 -41.56 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.173 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.22 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.204 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.47 156.62 31.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 99.99 111.306 173.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -66.89 -26.32 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.206 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.54 -36.07 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.227 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.5 m -81.93 -49.13 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.244 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.67 -49.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.179 -166.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 33.7 mt -60.59 -46.68 97.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.157 -164.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 95.5 Cg_exo -46.56 -44.65 20.89 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.772 1.648 . . . . 99.99 111.21 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.91 -44.21 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 99.99 111.204 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG23 HD12 ' A' ' 45' ' ' ILE . 76.2 t -54.89 -50.62 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.219 176.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.85 -45.62 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.244 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.18 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.188 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.66 -38.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.202 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.437 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 11.1 m-30 -93.39 21.46 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.204 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -123.02 24.96 8.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.126 170.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.64 -39.88 64.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.208 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 56.7 32.88 21.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.151 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -115.66 4.09 14.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.26 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.99 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.184 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -53.76 -48.18 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.232 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -151.61 179.95 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.243 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -145.33 139.88 27.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 99.99 111.156 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.207 -178.276 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.836 0.351 . . . . 99.99 111.258 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -85.28 135.36 33.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.14 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 134.76 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.178 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -95.88 -46.17 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.257 171.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -162.16 138.95 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 99.99 111.206 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -102.58 115.17 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 99.99 111.117 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.1 t -100.02 148.37 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.161 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.94 168.95 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.192 170.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -135.01 159.62 71.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.203 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.17 -35.7 74.34 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 99.99 111.266 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -105.42 111.67 24.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 99.99 111.192 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -88.91 19.63 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.171 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.37 -6.56 59.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.157 165.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 9.8 t -142.66 146.06 34.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.278 173.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.4 mmm -114.74 153.26 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.128 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -109.31 123.89 50.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.249 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.07 112.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.199 -177.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -82.44 126.11 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.254 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.74 153.29 27.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.235 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p -82.67 -52.73 6.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.206 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -121.5 94.15 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.158 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 -163.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.234 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -47.39 139.39 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.182 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -44.24 -59.71 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.235 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.85 120.63 7.45 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.267 -0.733 . . . . 99.99 111.267 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 mmt -91.87 55.16 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 99.99 111.248 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.7 p -124.69 174.99 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.207 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 94.5 p -76.4 145.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.123 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -166.92 154.26 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.251 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -123.05 129.96 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.179 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -128.17 118.94 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 99.99 111.169 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -121.74 -30.47 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.158 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -110.59 129.35 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.25 -174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -56.4 124.82 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.254 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -155.08 170.83 20.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.181 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -75.29 -10.82 59.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.209 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 91' ' ' HIS . 83.4 p -72.8 -20.57 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.224 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.72 152.38 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.167 173.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -50.0 145.79 18.52 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.768 1.645 . . . . 99.99 111.187 166.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.94 -44.33 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.189 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -74.49 -19.23 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.229 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.7 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 99.99 111.267 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.47 -38.49 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.194 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' O ' HG21 ' A' ' 48' ' ' VAL . 99.1 m-20 -52.19 -48.6 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.27 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.17 -47.0 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.199 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.45 -38.15 73.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.215 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.96 -19.66 57.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.169 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 44' ' ' ASP . 66.1 t -60.13 121.4 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.193 175.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 111.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.173 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.26 -20.8 5.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.226 -0.749 . . . . 99.99 111.226 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.6 t -77.93 129.44 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 99.99 111.13 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.09 -56.07 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.208 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.3 p -150.45 154.7 38.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.262 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -119.51 118.07 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.195 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -115.23 131.33 56.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.263 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' SER . 52.0 t-80 -109.67 140.02 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.194 173.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 12.3 p -153.49 140.17 12.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.176 170.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 ttm 61.82 -105.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.157 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -141.14 31.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.176 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 53.1 p90 -144.9 165.1 29.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.23 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mm -110.32 133.43 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.152 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.6 t -105.17 109.93 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.235 166.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' THR . 67.4 t -102.39 120.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.193 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -112.28 126.83 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.447 . . . . 99.99 111.18 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.26 179.91 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 99.99 111.17 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.39 160.73 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.261 171.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.28 -39.92 92.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 99.99 111.183 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.94 -40.22 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 99.99 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.19 156.17 10.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.152 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -120.34 147.54 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.263 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -70.48 -21.86 62.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.252 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.237 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.6 m -87.67 -50.7 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.222 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.45 -50.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.173 -164.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 49.4 tp -64.33 -45.37 78.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.169 -162.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.3 Cg_exo -50.14 -41.05 50.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.672 1.581 . . . . 99.99 111.27 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.18 -43.03 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.187 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.96 -48.28 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.238 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.63 -40.33 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.361 175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.9 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 99.99 111.181 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.13 -34.42 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.273 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.85 -26.15 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 99.99 111.174 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -97.62 25.9 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.209 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -86.98 -14.87 40.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.189 168.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 54.11 45.63 27.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 99.99 111.321 -177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -64.77 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.19 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -81.09 -22.66 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 99.99 111.177 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -129.44 167.08 18.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.269 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -152.67 175.14 13.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 99.99 111.179 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -116.81 156.97 26.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.17 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' SER . 87.1 m-70 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.277 -0.419 . . . . 99.99 111.203 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.773 0.321 . . . . 99.99 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -133.06 129.87 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.229 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.58 139.99 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 99.99 111.214 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.96 -54.87 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.215 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -158.53 167.86 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.138 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.99 116.27 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.243 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.7 p -108.03 163.34 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 99.99 111.15 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.78 168.63 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.257 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 p -134.46 164.98 40.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.138 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 53.2 Cg_exo -54.62 -31.81 72.11 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.606 . . . . 99.99 111.187 177.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -100.33 109.94 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.263 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -69.15 -9.86 54.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.18 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -80.12 -7.28 58.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.129 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 t -136.88 150.05 48.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.249 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -116.76 151.3 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.187 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -109.9 119.36 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.183 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.53 124.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.24 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -86.56 135.28 33.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.2 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.86 158.44 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.236 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -73.42 -23.05 60.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.273 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.16 159.94 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.222 -172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -78.91 170.55 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.265 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -68.86 -17.73 64.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.141 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.34 120.02 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.234 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.79 -4.7 75.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.186 -0.766 . . . . 99.99 111.186 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.3 mmt -90.42 155.84 18.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 99.99 111.213 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.7 t -119.22 -163.1 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.217 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -138.63 152.12 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.165 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -164.61 156.73 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 99.99 111.156 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -118.68 130.06 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.252 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -121.75 104.29 9.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.155 -173.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -116.57 -30.13 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.159 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.01 165.87 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 99.99 111.192 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.28 124.01 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.175 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.92 160.12 41.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 99.99 111.187 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -73.86 -30.64 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.159 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.4 p -66.46 -14.87 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 99.99 111.255 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.02 153.92 47.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.233 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HB2' HG12 ' A' ' 42' ' ' ILE . 57.2 Cg_exo -52.26 136.13 54.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.789 1.659 . . . . 99.99 111.128 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.15 -45.13 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.165 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.22 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 39' ' ' PRO . 28.5 mm -60.46 -38.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.235 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.76 -49.16 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.207 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.75 -47.85 83.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.119 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.79 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.173 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 mt -55.18 -40.3 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 99.99 111.215 173.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.36 -19.52 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.244 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.96 124.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.206 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.78 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.203 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.01 -26.4 15.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.189 -0.764 . . . . 99.99 111.189 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.43 129.19 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 99.99 111.135 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -93.93 -56.79 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.227 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -161.26 157.34 25.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.239 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.66 130.47 74.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.287 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.26 130.03 56.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.175 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -109.97 136.58 49.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.239 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.72 127.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.22 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.31 -118.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.211 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -113.26 22.22 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.151 -166.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -150.81 160.1 44.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 99.99 111.218 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.95 135.07 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.249 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 t -104.95 109.95 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.259 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.69 125.0 65.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.225 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.181 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.73 179.13 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.251 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -84.8 161.78 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.311 171.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.03 -39.77 95.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 99.99 111.192 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.38 -40.01 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.139 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.02 160.06 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.233 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.95 149.82 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 99.99 111.192 173.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -69.49 -26.93 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.239 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.44 -35.76 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.233 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -82.47 -49.59 9.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 99.99 111.124 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.12 -50.17 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.17 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.535 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 35.5 mt -61.4 -46.0 94.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.18 -163.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 76.5 Cg_exo -45.79 -44.28 18.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.751 1.634 . . . . 99.99 111.224 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.13 -45.3 61.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.6 -55.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.2 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -58.41 -38.76 78.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.222 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -41.47 73.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.186 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.38 -46.07 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.153 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -57.89 -30.09 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.268 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.4 1.17 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.247 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.31 -27.96 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.235 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 55.88 33.92 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.152 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -85.14 147.98 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.186 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -53.93 134.83 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.15 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -157.13 164.47 37.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.246 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -159.84 166.19 30.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.177 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.45 172.0 7.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.139 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.22 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 tpp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.794 0.331 . . . . 99.99 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -154.23 140.45 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 99.99 111.228 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 84.6 mt -97.12 139.75 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.099 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.8 mt -93.17 -52.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 99.99 111.251 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -157.93 157.29 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.25 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.7 123.84 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 99.99 111.249 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.0 p -118.11 168.28 10.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 99.99 111.134 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.24 169.41 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.249 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.9 p -130.24 160.0 67.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.242 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -33.74 81.97 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.742 1.628 . . . . 99.99 111.178 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -92.79 113.17 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.17 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 55.8 t-80 -70.03 156.91 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.186 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 77.2 m-20 80.38 12.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.153 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -146.72 141.11 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.259 166.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.5 mmm -115.5 152.92 32.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.134 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.35 119.81 40.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.197 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -108.27 117.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.223 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -85.11 128.56 34.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.242 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -100.78 156.11 17.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.196 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 m -77.73 -26.3 49.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.155 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.24 149.94 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.279 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.7 p -74.54 166.18 23.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 99.99 111.204 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -65.5 -24.14 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.254 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.59 131.88 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.279 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.11 -9.19 67.71 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.26 -0.736 . . . . 99.99 111.26 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.1 mmm -96.5 153.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 99.99 111.238 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.9 p -86.36 167.96 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.303 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 40.5 t -137.74 116.47 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.086 170.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -161.22 162.29 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.234 -166.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -115.36 130.63 56.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.191 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -118.58 119.54 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.194 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 p -119.29 -31.27 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.264 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.93 162.71 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.276 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.87 134.62 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.21 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.9 141.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.199 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.88 -30.04 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 99.99 111.194 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -71.04 -14.25 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.177 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -85.82 158.53 56.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.246 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.2 Cg_exo -54.88 146.67 55.4 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.595 1.53 . . . . 99.99 111.259 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.59 -51.26 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.231 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.473 ' HB3' HD12 ' A' ' 84' ' ' LEU . 1.7 p90 -70.02 -10.03 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.294 -174.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 39' ' ' PRO . 33.9 mm -86.42 -43.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.149 171.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.25 -44.04 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.299 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -55.21 -47.16 75.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.196 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.84 -44.92 75.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.148 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.24 -43.54 70.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 99.99 111.175 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -74.89 -12.27 60.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 99.99 111.212 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.49 124.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.168 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.81 128.75 38.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.221 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.71 -16.4 21.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.185 -0.766 . . . . 99.99 111.185 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.39 128.78 39.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.805 0.336 . . . . 99.99 111.172 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.96 -58.78 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.214 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -152.44 152.87 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.271 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.21 125.37 67.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.14 172.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -115.08 128.5 56.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.214 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' SER . 16.6 t-160 -116.09 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.245 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -143.56 129.6 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.182 167.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm 54.93 -110.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.218 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -122.77 23.24 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 99.99 111.248 -164.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.78 155.18 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.17 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -123.39 133.76 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.199 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -101.58 112.24 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.215 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.71 121.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.266 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.83 130.34 56.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 99.99 111.162 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -101.03 179.88 4.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.273 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -84.38 162.41 20.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.271 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.76 -39.91 94.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 99.99 111.244 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.96 -40.1 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.198 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.71 157.61 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.247 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -125.01 151.7 45.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 99.99 111.225 174.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -70.34 -22.59 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.158 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.04 -40.04 63.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.137 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.6 m -87.2 -50.76 6.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.177 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.56 -50.03 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 99.99 111.196 -165.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 32.7 tp -65.1 -45.27 72.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.175 -161.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 89.1 Cg_exo -50.1 -42.77 45.15 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.643 1.562 . . . . 99.99 111.31 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.7 -45.98 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.211 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.31 -51.75 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.139 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.0 -47.24 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 99.99 111.293 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.68 -42.9 79.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.272 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.6 -39.55 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.202 -174.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -82.46 10.38 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.091 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -106.34 20.67 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 99.99 111.227 171.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 41' ' ' PHE . 50.1 mt -69.34 -30.8 68.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 99.99 111.214 175.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 59.22 35.88 23.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.203 -171.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -99.03 162.45 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.249 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -118.22 95.31 4.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.305 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.34 157.46 41.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.279 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -146.42 -178.93 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.161 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.414 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 21.5 t-160 -144.92 126.41 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.22 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.199 -1.589 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.229 179.17 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.851 0.358 . . . . 75.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 93.5 mt -76.53 133.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.2 mt -93.42 -48.75 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 50.0 111.326 167.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -164.98 155.21 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.198 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.34 120.35 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.205 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -114.61 169.57 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.128 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.01 169.29 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.185 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.5 p -132.41 165.56 35.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.231 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 74.3 Cg_exo -53.95 -31.29 62.72 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.703 1.602 . . . . 50.0 111.209 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -102.4 110.11 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.175 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -69.5 -11.94 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 75.0 111.171 -168.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.16 -11.52 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -132.96 146.43 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.142 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -113.31 154.12 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.193 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -106.24 120.15 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.135 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -106.92 112.41 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.169 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.2 m -86.88 124.61 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.181 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 3' ' ' ILE . 72.4 mt -113.52 149.74 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.149 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.174 168.165 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.759 0.314 . . . . 75.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -76.53 152.19 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.153 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -167.2 160.01 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -127.11 129.96 48.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.165 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 73.9 m-85 -125.5 129.62 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.276 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -122.68 -25.3 4.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.25 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.43 150.36 39.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.253 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.22 129.52 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.201 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -164.05 170.7 16.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.271 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.56 -19.55 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.269 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p -76.25 -15.16 60.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.161 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 19.8 mp0 -89.3 150.81 45.51 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.248 176.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -49.91 144.59 20.84 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.653 1.569 . . . . 50.0 111.167 167.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.06 -46.63 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.189 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -54.94 -47.39 74.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.15 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.82 -36.28 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.211 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.21 -48.56 72.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.171 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.71 -47.08 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.162 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.05 -43.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.25 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.57 -37.45 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.168 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -73.36 -23.26 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.246 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.82 123.98 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.161 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.56 125.14 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.224 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.33 -32.29 5.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.266 -0.734 . . . . 50.0 111.266 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.97 125.03 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 50.0 111.227 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -96.72 -56.85 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.225 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -148.47 154.07 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.1 mt -126.77 131.86 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.175 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -115.87 129.98 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.114 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -113.9 140.11 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.246 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.64 139.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.194 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttm 55.03 -106.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.0 111.224 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -136.3 33.29 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 75.0 111.126 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -150.54 156.51 41.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.53 134.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.255 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.0 t -101.43 111.3 23.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.133 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.48 115.19 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.184 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -110.38 132.98 53.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.124 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.602 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -119.53 169.81 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.16 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 154.96 36.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.165 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -57.74 -38.4 75.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.185 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.84 147.98 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.203 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -116.22 146.32 42.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 50.0 111.218 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -70.1 -24.84 63.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.149 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.04 -39.93 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.176 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.4 m -86.55 -50.42 6.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 50.0 111.228 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.88 -50.7 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.252 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 39.0 tp -64.6 -45.56 76.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.26 -162.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 86.6 Cg_exo -49.79 -42.94 42.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.683 1.589 . . . . 50.0 111.179 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.73 -45.08 76.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.11 -49.64 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.28 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -43.18 76.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.193 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.04 75.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.181 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.55 -50.96 46.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.127 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -65.17 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.233 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.0 111.143 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.787 0.327 . . . . 75.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.99 130.16 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.207 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.99 -42.59 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.172 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -161.25 137.43 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.16 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.54 112.89 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.19 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -100.07 153.46 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.13 -174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.52 166.2 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.163 169.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 30.1 p -134.79 164.77 41.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.17 -177.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.7 Cg_exo -53.07 -33.51 63.67 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.776 1.651 . . . . 50.0 111.156 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -100.32 107.94 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.192 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -69.81 -10.06 57.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 75.0 111.224 -170.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.65 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -134.31 146.2 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.22 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.9 mmm -113.49 153.06 29.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.252 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.84 120.0 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.216 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.41 111.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.184 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.8 m -85.03 124.34 31.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.38 149.12 32.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 50.0 111.229 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.256 178.483 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.86 0.362 . . . . 75.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -64.93 143.63 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.173 -176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -157.78 152.03 24.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.239 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -117.11 128.76 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.221 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -125.04 105.27 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.191 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -118.14 -31.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.188 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.4 mttt -127.66 141.7 51.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.205 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.29 133.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.183 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -159.44 147.47 17.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.175 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.11 -29.99 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.202 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.8 p -69.98 -13.97 62.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 50.0 111.173 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 70.9 mt-30 -89.97 155.83 47.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.243 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.94 133.97 41.3 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.687 1.591 . . . . 50.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.91 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.246 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -55.43 -47.99 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 75.0 111.262 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mm -58.17 -39.8 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.241 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.29 -48.53 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.218 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.96 -47.04 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.173 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.65 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.178 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.45 -37.55 73.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.167 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.51 -22.97 59.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.05 122.83 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.2 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.81 126.3 27.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.147 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.68 -25.21 9.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.276 -0.729 . . . . 50.0 111.276 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.01 124.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 50.0 111.213 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -95.39 -59.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.2 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.8 p -149.96 148.9 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.199 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -124.96 139.99 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.206 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -126.26 122.61 36.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.194 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -101.97 129.06 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.162 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 128.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.243 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.2 mtp 59.63 -120.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.21 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -118.05 29.19 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.136 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -149.56 155.09 39.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.168 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -123.5 133.81 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.18 -172.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.6 t -100.24 112.32 24.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.405 . . . . 50.0 111.16 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.79 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.221 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.53 127.55 54.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -97.86 -179.95 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.235 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -84.46 159.97 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.246 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.66 -39.33 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.107 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.02 -40.3 75.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.115 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.68 158.77 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -123.55 147.6 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.124 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -70.07 -26.18 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.185 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.34 -34.9 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.176 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.0 m -82.7 -49.91 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.198 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.81 -50.27 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.253 -165.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 30.5 mt -61.75 -45.79 92.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.207 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 79.8 Cg_exo -46.62 -44.0 22.07 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.756 1.637 . . . . 50.0 111.157 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.7 -46.07 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -49.09 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.268 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.41 -44.11 72.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.95 77.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.242 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.5 -50.03 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.263 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -67.86 -30.68 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.282 -176.453 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 75.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.92 137.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.212 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 98.6 mt -96.09 -53.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.202 166.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -157.26 154.91 29.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.146 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.2 120.19 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.239 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -107.32 157.16 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.141 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.21 167.73 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.207 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 16.8 p -134.32 168.09 19.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.164 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.7 Cg_exo -54.06 -29.27 54.34 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.704 1.603 . . . . 50.0 111.131 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -98.5 110.04 22.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.174 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -51.48 -36.03 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.216 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -79.27 1.85 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.174 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -127.33 137.73 52.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.233 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.7 mmm -120.7 151.61 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.164 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -108.3 128.47 54.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.161 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -115.04 118.31 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.229 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.8 m -88.61 128.06 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.19 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.27 149.49 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.211 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.205 179.013 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.855 0.359 . . . . 75.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -74.98 149.19 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.193 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -159.28 155.72 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.288 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -121.27 131.22 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.156 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -127.37 110.99 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.206 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.2 p -120.74 -33.11 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.227 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.2 mttt -122.87 139.71 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.233 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -59.75 133.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.239 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -159.97 159.88 32.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.153 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -74.83 -22.41 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.166 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.1 p -69.49 -15.05 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.193 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 51.1 mt-30 -99.56 151.83 37.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.221 -175.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.08 138.85 35.46 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.558 . . . . 50.0 111.235 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.73 -45.1 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.231 173.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -55.06 -46.97 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.194 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.83 -38.08 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.184 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.1 -48.89 72.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.176 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -56.36 -47.13 79.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 HG22 ' A' ' 78' ' ' VAL . 93.6 mt -61.85 -44.13 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.174 -177.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -57.64 -36.99 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.27 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.88 -23.94 60.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.154 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.9 120.49 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.228 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.63 125.87 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.157 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -26.38 8.01 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.231 -0.747 . . . . 50.0 111.231 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.73 127.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 50.0 111.181 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.62 -58.86 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.258 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.4 p -154.46 157.82 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.177 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.82 139.42 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.232 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -127.76 129.98 47.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -119.35 120.9 38.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 p -138.97 140.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.179 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.5 mmm 49.0 -129.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.143 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -109.93 31.34 5.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.181 -170.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -148.31 154.71 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.156 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.1 mt -123.89 134.73 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.218 -176.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -99.29 115.51 29.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.212 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.29 123.34 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.171 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.28 145.57 49.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.253 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -105.96 179.96 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.206 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.31 160.4 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.219 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.81 -38.63 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.196 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.03 -40.57 78.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.224 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.83 160.24 20.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.257 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.66 151.26 48.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.204 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -69.99 -24.58 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.178 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.95 -40.42 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 75.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -86.59 -50.28 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 50.0 111.247 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.48 -49.53 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.196 -166.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 48.0 tp -63.38 -45.7 84.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 50.0 111.248 -162.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.7 Cg_exo -49.97 -42.67 44.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.741 1.627 . . . . 50.0 111.184 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.2 -45.5 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 45' ' ' ILE . 70.8 t -56.51 -49.3 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.211 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.26 -43.26 74.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.252 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.93 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.157 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -55.37 -49.75 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.167 -172.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.63 -21.45 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.107 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.21 -175.492 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 pttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.934 0.397 . . . . 75.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.91 131.65 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.262 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.21 -44.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.192 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -162.65 139.85 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.298 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.6 mt -110.44 129.95 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.185 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -117.9 156.38 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.159 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.14 166.99 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.216 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.8 p -132.64 167.29 23.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.214 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.8 Cg_exo -53.97 -31.74 65.02 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.762 1.641 . . . . 50.0 111.152 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -96.24 109.89 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.0 111.279 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -70.21 -10.02 57.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.159 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -88.49 1.16 55.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 50.0 111.274 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -141.32 142.22 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.255 174.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.4 mtp -126.05 153.0 45.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.224 -175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.69 127.2 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.179 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.56 103.04 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.231 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -78.96 123.16 27.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.209 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.79 158.97 17.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.273 -174.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.161 175.294 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 75.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -73.36 154.83 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.201 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.75 157.87 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.184 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.3 m -120.04 126.92 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.157 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 58.8 m-85 -125.33 104.9 8.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.227 -177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.1 p -121.84 -24.93 5.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.35 156.33 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.239 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.22 123.86 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.227 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -162.41 178.97 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.125 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.214 -172.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -72.97 -18.32 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.261 -171.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 13.9 mp0 -81.63 142.29 49.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.192 174.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.4 136.13 39.84 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.723 1.615 . . . . 50.0 111.245 172.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -43.34 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.248 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -57.63 -47.26 82.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.198 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.95 -35.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.205 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.84 -49.91 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.151 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.38 -47.86 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.183 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.55 -44.84 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.237 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.54 -37.9 73.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.159 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.51 -21.58 59.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.207 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.31 122.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.138 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.62 124.98 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.16 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -24.67 8.9 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 50.0 111.157 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.69 125.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 50.0 111.169 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.0 -58.38 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.143 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.2 p -150.69 151.79 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.221 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.9 mt -123.28 136.28 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.172 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -120.94 129.31 53.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.25 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.22 139.89 43.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.262 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.35 147.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.172 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.2 mmm 51.99 -131.52 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.187 -171.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -114.09 45.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 75.0 111.192 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -153.6 162.83 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.272 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.28 135.15 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 50.0 111.159 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -105.9 115.88 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.229 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -107.87 124.26 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.192 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -116.18 124.67 50.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.216 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -95.66 178.67 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.254 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.12 160.61 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.247 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.08 -39.19 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.96 -40.12 75.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.287 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 158.3 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.235 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.48 153.76 43.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 50.0 111.289 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -72.14 -20.6 61.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.234 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.75 -40.1 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.226 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -87.68 -51.23 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.18 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.53 -47.66 79.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.12 -167.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.4 tp -60.54 -52.96 69.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.249 -164.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.1 Cg_endo -61.98 -34.44 80.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.683 1.589 . . . . 50.0 111.163 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.33 -43.23 82.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.151 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.39 -45.13 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.121 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.72 -43.07 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.229 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.42 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.175 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.1 t -55.86 -49.47 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.233 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -74.99 -14.79 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.114 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.18 -179.458 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.82 0.343 . . . . 75.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 18.0 tt -69.89 147.27 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.218 -172.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -54.32 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.19 173.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -161.7 164.64 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.7 mt -123.01 121.69 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.165 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -109.27 164.9 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.175 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -89.98 168.76 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.249 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.8 p -134.57 166.32 30.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.245 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.8 Cg_exo -53.71 -32.61 66.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.691 1.594 . . . . 50.0 111.196 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -101.4 109.94 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 75.0 111.204 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -69.92 -10.8 59.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.237 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -78.14 -8.71 58.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.216 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -135.01 147.14 49.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.226 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mmm -118.59 154.98 31.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.185 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -106.24 127.15 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.141 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.42 123.78 69.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.159 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -99.83 121.8 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.255 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -110.42 150.25 29.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.203 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.146 171.046 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.829 0.347 . . . . 75.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -74.19 148.47 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.102 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.57 159.71 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 50.0 111.17 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -119.08 131.26 55.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.187 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -127.89 120.87 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.189 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.7 p -119.94 -40.48 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.181 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.88 153.85 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.264 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.49 133.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.264 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -156.46 159.96 39.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.262 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.93 -38.21 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.174 -173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -66.62 -19.24 65.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.204 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -85.82 149.97 52.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.241 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -50.45 131.15 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.723 1.615 . . . . 50.0 111.232 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.32 -37.62 48.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.186 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.238 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.45 -39.91 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 50.0 111.222 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.77 -43.07 94.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.252 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.21 -49.9 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 50.0 111.221 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.23 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.212 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.93 -37.29 71.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.159 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -72.81 -26.06 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.218 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.26 123.04 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.19 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.45 125.76 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.188 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.4 -25.69 8.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.175 -0.77 . . . . 50.0 111.175 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.76 124.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 50.0 111.223 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.97 -59.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.199 -175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -145.11 152.27 39.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.22 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.9 mt -128.22 135.84 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.203 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -118.71 127.94 54.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.158 169.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.86 117.64 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.234 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.91 139.99 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.19 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm 64.79 -124.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 75.0 111.214 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -121.19 30.94 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 75.0 111.182 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.64 155.14 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.173 175.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -125.65 134.96 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.213 -173.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 t -103.24 115.21 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.195 173.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.17 117.76 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.221 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.28 127.72 54.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.218 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -98.38 179.94 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.27 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.53 160.03 20.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.283 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.06 -39.41 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.127 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.92 -39.98 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.196 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.31 159.47 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 50.0 111.218 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -125.99 147.15 49.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.264 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -69.96 -25.14 63.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.272 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.55 -38.64 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.0 111.212 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -81.41 -50.03 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.233 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.83 -51.28 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.213 -164.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 34.7 mt -62.79 -45.43 87.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.196 -162.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 84.3 Cg_exo -46.89 -44.24 22.84 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.676 1.584 . . . . 50.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.62 -44.03 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.233 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.04 -51.35 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.212 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.7 -42.09 74.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.245 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.83 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.234 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -51.86 -47.89 39.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.164 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 67.1 m-85 -80.03 -30.54 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.202 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 75.0 111.316 -178.613 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 75.0 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.34 131.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.187 -166.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -99.44 -47.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.156 166.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -163.28 137.31 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.207 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.8 mt -110.58 133.08 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.223 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.4 p -138.92 160.83 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.118 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.49 169.63 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.129 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 43.1 p -124.81 164.54 30.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.159 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 52.3 Cg_exo -55.25 -29.57 67.64 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.716 1.611 . . . . 50.0 111.215 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.28 140.52 30.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.213 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 48.3 t-80 -88.03 154.54 20.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.622 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 92.9 m-20 76.71 13.31 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.207 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 t -148.65 137.74 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.165 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mtp -130.11 158.65 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.199 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -112.29 128.69 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.206 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.9 122.95 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.22 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.4 m -91.66 123.09 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.221 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -115.04 154.81 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.237 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.251 178.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.827 0.346 . . . . 75.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.7 p -74.15 150.82 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.165 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -162.02 157.41 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.234 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m -119.18 135.25 54.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.254 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -122.79 109.24 13.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.172 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.8 p -118.74 -29.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.215 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.23 164.21 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 75.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -86.67 125.54 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.215 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -144.86 160.0 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.128 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -72.12 -31.35 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.216 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -66.49 -15.61 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.257 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -90.11 150.18 42.88 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.165 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.96 137.91 52.54 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.647 1.565 . . . . 50.0 111.175 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.13 54.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.223 171.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -53.69 -45.91 70.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.208 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.21 -40.25 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.225 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.36 -48.31 76.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.216 -173.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.04 -48.15 76.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 50.0 111.247 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.89 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.16 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 mt -54.1 -40.19 67.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.16 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.65 -18.43 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.211 -175.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.82 123.88 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.212 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.24 129.65 42.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.174 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.96 -25.27 11.73 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.191 -0.764 . . . . 50.0 111.191 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.8 t -75.0 125.76 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 50.0 111.168 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.81 -55.99 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.22 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -159.83 157.27 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -124.92 134.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.22 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -120.28 130.02 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.417 . . . . 50.0 111.212 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -112.73 140.23 47.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -161.01 144.75 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.309 170.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm 59.18 -125.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.247 -172.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -121.54 41.59 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.216 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.29 164.93 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -123.82 137.76 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.227 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.5 t -110.34 115.8 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.16 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.69 131.23 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.176 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -123.48 144.98 49.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.155 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -112.19 177.93 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.26 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.69 159.99 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 173.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.27 -39.61 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.202 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.03 -40.52 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.174 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.98 158.51 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.192 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -126.28 154.82 42.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.203 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.99 -21.85 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 50.0 111.215 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.75 -36.83 70.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.5 -50.49 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.238 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.56 -50.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 -166.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 63.1 tp -64.25 -46.12 78.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.141 -162.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.3 Cg_exo -49.54 -42.29 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.781 1.654 . . . . 50.0 111.152 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.87 -43.3 72.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -53.04 -51.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.218 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -53.49 -46.52 70.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.158 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.64 72.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.12 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.7 -48.32 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.135 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.86 -27.35 68.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.205 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.22 -177.447 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.771 0.319 . . . . 75.0 111.24 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -69.85 148.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.25 -174.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.67 -54.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.286 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -165.13 152.37 10.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.212 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.0 mt -113.38 123.59 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.237 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -110.32 163.02 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 50.0 111.227 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -91.99 167.71 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.241 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -133.27 168.01 20.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.168 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 71.0 Cg_exo -54.09 -32.05 67.65 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.731 1.621 . . . . 50.0 111.228 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -102.8 110.1 21.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 75.0 111.173 172.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -67.53 -15.37 63.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.198 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -69.88 -21.24 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.155 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -125.32 150.03 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.207 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.42 158.86 38.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.24 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -105.59 127.56 53.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.184 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.16 114.48 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.179 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.4 m -89.58 123.72 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.266 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.11 154.62 28.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.131 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.132 171.081 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 75.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -68.76 149.96 48.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.215 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -161.73 159.89 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.187 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -121.29 130.11 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.411 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 93.7 m-85 -124.94 111.53 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 50.0 111.228 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.5 p -121.23 -33.33 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.196 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.54 146.32 49.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.225 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.48 135.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.201 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -158.05 146.57 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.26 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -32.44 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.158 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -69.98 -15.03 62.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -90.59 153.9 45.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.254 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.13 128.0 21.23 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.77 1.647 . . . . 50.0 111.183 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.61 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.264 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -55.12 -49.56 71.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.224 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.84 -33.33 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.24 -45.35 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.268 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.52 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.228 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 94.1 mt -59.98 -42.83 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.83 -38.36 72.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.193 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.8 -21.37 59.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.239 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.51 121.64 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.131 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.9 125.15 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.146 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -24.13 8.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.163 -0.775 . . . . 50.0 111.163 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.92 125.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 50.0 111.252 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.98 -57.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.19 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.5 p -146.5 152.37 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.238 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 87.7 mt -125.81 135.99 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.219 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -122.98 127.45 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.155 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -101.19 126.06 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.227 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.7 p -143.68 134.03 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.28 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.1 ttm 62.68 -124.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.18 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -120.56 31.09 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 49.0 p90 -142.07 161.84 36.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.202 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 mm -117.13 132.22 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.233 -170.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -106.3 114.01 27.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.243 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.92 124.94 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.24 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -111.02 126.82 55.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.174 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.92 179.71 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.274 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.25 160.37 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.238 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -40.56 97.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 50.0 111.213 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.97 -40.51 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.239 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.42 159.62 12.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.153 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.82 153.8 46.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -71.04 -19.93 62.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.156 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.1 -37.5 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 111.202 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.8 m -87.23 -50.98 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.229 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.83 -46.78 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.186 -168.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 9.1 tt -58.58 -52.87 71.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.212 -165.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.2 Cg_endo -60.98 -35.58 87.05 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.757 1.638 . . . . 50.0 111.179 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.2 -44.37 79.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.137 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 61.0 t -61.51 -44.7 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.13 -42.11 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.145 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.36 79.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.187 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.2 -47.18 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -79.03 -33.51 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.193 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.234 178.512 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.782 0.325 . . . . 75.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.13 132.2 32.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.161 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.0 mt -104.99 -48.58 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.215 164.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -163.62 135.04 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.141 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -111.64 133.12 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.245 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.8 p -133.58 164.28 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.223 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.81 168.37 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.209 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 21.8 p -128.17 168.95 13.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.147 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 73.9 Cg_exo -53.86 -29.12 51.65 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.683 1.589 . . . . 50.0 111.247 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -93.37 111.56 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.117 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -51.71 -37.51 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.192 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.79 -11.4 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.157 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -120.43 138.22 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.218 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mtp -129.8 155.09 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.2 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -108.59 131.07 55.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.18 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -116.04 115.48 49.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.199 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -90.02 122.67 33.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.223 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.62 155.45 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.204 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.258 172.889 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.77 0.319 . . . . 75.0 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 91.5 p -80.09 144.96 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 50.0 111.158 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -167.23 156.53 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.179 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.9 m -120.84 127.11 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.17 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.97 144.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.143 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.5 p -123.18 -25.14 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.23 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.93 154.64 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.175 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -65.59 139.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -158.24 157.51 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.297 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -76.54 -13.28 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.195 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.2 p -74.62 -14.4 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.169 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.96 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.18 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.19 144.97 21.49 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.698 1.598 . . . . 50.0 111.175 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.1 -39.1 55.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.165 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.51 -36.41 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.169 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mm -80.49 -40.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.166 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -65.56 -46.28 80.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.213 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.79 -47.12 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.155 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.31 -44.56 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.269 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 54' ' ' ILE . 80.9 mt -56.9 -37.92 72.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.14 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.76 -21.38 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.265 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.82 123.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.202 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.18 125.86 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 50.0 111.228 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -27.64 7.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.306 -0.717 . . . . 50.0 111.306 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.34 128.6 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 50.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.52 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.235 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -154.67 157.61 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.113 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.4 HD12 ' HG ' ' A' ' 46' ' ' LEU . 76.2 mt -128.87 128.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.228 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.21 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.9 t-80 -111.56 134.66 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.175 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -153.99 131.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.236 172.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm 61.64 -124.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.205 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -117.42 34.31 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 51.7 p90 -149.96 155.46 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 175.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.71 137.79 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.234 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -105.0 110.42 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.149 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.19 127.7 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.247 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -127.22 145.8 50.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.147 -175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -110.04 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.224 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.49 165.5 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.245 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.48 -40.13 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.163 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.75 -40.22 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 158.12 21.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.158 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.37 151.73 47.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -70.09 -23.4 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.267 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -40.2 64.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 75.0 111.174 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.7 m -85.97 -50.43 7.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.239 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.82 -49.57 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.178 -166.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.6 tp -62.72 -47.26 88.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.191 -163.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.5 Cg_exo -48.86 -44.03 33.22 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.738 1.625 . . . . 50.0 111.247 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -42.51 77.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.134 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -53.57 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.243 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.78 -40.64 76.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.316 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.7 -41.24 77.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 50.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.2 -44.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.15 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -76.93 -35.14 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.201 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.228 -175.215 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.773 0.32 . . . . 75.0 111.214 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' HG3' ' A' ' 79' ' ' GLU . 17.4 tt -63.32 143.07 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.222 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.6 mt -105.54 -53.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.202 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -160.34 165.78 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.19 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.88 124.71 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.219 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.8 p -112.99 160.8 17.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.36 168.67 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.228 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.453 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.1 p -133.37 166.91 25.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.287 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.8 Cg_exo -54.85 -30.86 70.15 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 121.761 1.641 . . . . 50.0 111.223 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -101.83 110.3 22.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.287 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -67.82 -14.28 62.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.216 -171.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.32 -20.39 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 t -131.86 149.96 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.222 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.2 mtp -126.33 160.29 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.153 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -107.44 127.58 53.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.175 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.3 mt -116.62 121.25 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.21 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.9 m -95.13 127.03 40.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.172 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -113.48 155.98 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.224 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.22 175.317 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 75.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -70.1 154.59 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.13 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -162.87 154.68 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.263 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -119.97 128.68 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.173 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -123.93 105.05 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.232 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.1 p -119.11 -42.74 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.119 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.43 139.72 50.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.226 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.93 123.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -137.53 161.07 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.27 -30.34 64.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.209 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.5 p -65.62 -17.83 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.152 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -89.99 149.31 41.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 75.0 111.189 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.7 Cg_exo -51.47 135.54 47.53 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.705 1.603 . . . . 50.0 111.238 174.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.83 -44.78 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.188 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 81' ' ' VAL . 43.5 p90 -71.94 -24.63 61.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.207 -176.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 39' ' ' PRO . 30.9 mm -71.78 -34.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.153 169.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.22 -42.29 99.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.231 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.91 -48.69 72.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.211 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.32 -45.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.16 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.99 -37.58 77.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.2 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.96 -18.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.171 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.01 125.03 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.107 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 126.41 27.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 50.0 111.278 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.55 -22.4 24.33 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.222 -0.751 . . . . 50.0 111.222 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.4 t -76.34 125.04 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 50.0 111.197 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -99.67 -51.56 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.222 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -146.85 132.74 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.186 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -113.16 117.97 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -113.62 126.81 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.171 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.0 136.3 40.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.166 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.22 131.43 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.197 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 54.51 -105.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 75.0 111.219 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -135.76 32.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.247 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -149.98 159.09 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.124 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.05 136.04 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.228 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -100.55 111.79 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.062 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.4 t -104.55 115.08 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.203 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -111.45 122.84 48.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.214 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -99.95 -179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.06 144.94 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.213 167.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.55 -35.41 80.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.188 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.48 -40.99 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.212 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 167.99 6.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -123.94 152.39 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.192 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -70.61 -23.07 62.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.19 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.43 -39.89 64.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.235 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.23 -50.41 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.157 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.99 -50.11 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.145 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 29.7 tp -64.54 -45.49 76.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 50.0 111.145 -161.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.0 Cg_exo -51.02 -43.86 45.52 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.821 1.681 . . . . 50.0 111.17 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.05 -48.01 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.238 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.89 -45.07 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.191 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HD13 ' A' ' 3' ' ' ILE . 86.9 tt0 -54.4 -44.2 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.275 176.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.0 -38.11 67.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.135 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 41' ' ' PHE . 74.2 t -61.53 -39.27 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.292 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -79.7 4.3 16.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.194 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.274 171.316 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.738 0.304 . . . . 75.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 tt -92.17 149.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.245 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -102.73 -55.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 50.0 111.196 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -169.0 165.47 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.174 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.51 126.25 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.23 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.7 t -121.75 133.94 54.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.214 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -63.78 160.17 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.228 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 36.9 p -125.53 165.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.202 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 50.2 Cg_exo -56.74 -25.0 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.602 1.534 . . . . 50.0 111.113 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -82.07 108.93 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.163 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.506 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 17.8 t-160 -59.47 136.84 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.206 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 74.1 m-20 77.81 12.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.139 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -135.34 136.21 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.301 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 91.2 mtp -129.96 155.07 46.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.234 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -106.7 130.36 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.124 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -106.56 121.23 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.186 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.0 m -100.38 120.09 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.165 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -108.3 139.22 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.193 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.239 167.251 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.777 0.322 . . . . 75.0 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -78.45 128.77 34.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.132 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -143.18 153.43 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.187 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -114.16 129.88 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.202 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -122.76 110.49 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.4 p -121.11 -26.6 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 50.0 111.165 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 89.1 tttt -135.07 130.12 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.172 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.55 132.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.089 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -159.82 148.15 17.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.211 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.97 -29.86 70.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.101 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -69.94 -13.96 62.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.146 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 66.1 mt-30 -90.06 154.62 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.0 111.178 -178.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -48.38 132.68 24.6 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.736 1.624 . . . . 50.0 111.085 171.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.65 -42.19 61.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.22 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -54.7 -50.04 69.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.201 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mm -57.83 -39.49 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.04 -49.01 74.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 50.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.48 -46.04 80.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.245 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 96.0 mt -62.08 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.97 -36.95 75.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.22 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -72.73 -21.25 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.098 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.98 119.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.216 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.87 124.81 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.167 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.11 -28.65 6.52 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 50.0 111.207 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.06 126.82 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 50.0 111.193 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.0 -59.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.183 -174.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -151.97 151.56 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.178 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -125.69 139.57 50.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.264 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -124.72 122.48 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.304 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -115.29 112.01 21.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.286 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -133.35 135.03 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.172 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.7 mtp 57.25 -123.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.263 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -115.84 27.52 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.0 111.194 -172.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 54.5 p90 -147.35 155.21 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.116 177.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -125.96 129.86 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.201 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 t -100.34 119.67 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.151 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.5 t -118.12 127.83 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.215 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.72 146.8 50.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.215 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.02 179.78 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.261 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.62 162.94 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.215 172.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.64 -39.35 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.18 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.25 -40.26 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.256 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.32 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.29 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.6 152.74 47.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.263 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -69.97 -21.22 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.232 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -37.77 70.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.15 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.21 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.62 -50.01 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 50.0 111.244 -167.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.5 tp -62.82 -47.05 88.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 50.0 111.229 -162.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.6 Cg_exo -48.81 -44.01 33.03 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.632 1.555 . . . . 50.0 111.18 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.11 -44.51 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.142 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 71.2 t -56.12 -50.67 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.212 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.69 -42.78 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.244 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.96 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.134 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.91 -45.55 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.294 -176.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.75 -13.53 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.249 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.193 179.036 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.761 0.315 . . . . 75.0 111.167 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.05 129.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.178 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.1 mt -100.79 -45.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.194 164.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -162.19 130.36 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.191 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -108.42 125.27 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.3 p -133.29 171.94 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.164 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.58 169.84 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.151 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 31.8 p -128.09 166.42 24.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.107 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 60.5 Cg_exo -55.12 -29.39 65.61 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.662 1.575 . . . . 50.0 111.25 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -97.65 139.11 34.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.208 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.578 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 51.2 t-80 -85.71 157.27 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.198 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 85.3 m-20 73.78 13.63 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 t -149.85 138.8 21.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.29 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mtp -129.7 159.71 35.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.186 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -108.83 130.62 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.182 -174.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.63 104.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.254 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.1 m -78.6 125.63 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.15 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -113.59 153.7 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.115 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.226 176.203 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 75.0 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -73.9 153.38 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 -176.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -163.72 154.64 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.132 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.6 m -117.54 127.1 53.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.229 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 61.1 m-85 -124.95 105.96 9.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.184 -176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.9 p -120.74 -22.98 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.165 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.58 155.07 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.0 111.249 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -92.11 125.06 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.252 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -169.59 174.98 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.172 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.83 -30.99 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.247 -173.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -72.89 -14.64 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.151 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.646 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 15.5 mp0 -89.88 145.58 33.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.253 173.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.44 137.18 48.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.729 1.619 . . . . 50.0 111.167 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.26 -54.9 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.184 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -53.6 -45.69 70.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.197 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mm -57.56 -39.25 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.241 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.31 -46.16 89.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.15 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.85 -48.32 78.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.161 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.55 -41.14 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.217 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.29 -39.0 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.138 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.11 -19.56 58.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.163 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.42 123.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.176 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.19 125.05 22.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.32 -26.9 9.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 50.0 111.182 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -74.1 125.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 50.0 111.091 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.01 -57.72 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.248 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -148.21 154.0 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.132 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.03 138.52 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.278 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -124.73 127.68 47.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.228 172.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -106.51 141.59 37.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.215 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 58' ' ' MET . 8.2 p -161.94 145.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.222 172.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.5 mmm 59.15 -123.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.249 -175.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.37 42.38 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.253 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.84 163.02 40.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.294 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.9 mt -117.13 134.77 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.264 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -104.92 120.25 40.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.215 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.91 122.35 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.214 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -112.14 122.11 46.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.178 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -98.96 179.94 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.182 -175.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.4 153.5 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.254 170.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.86 -37.07 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 50.0 111.206 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.38 -40.45 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.199 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.83 158.49 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.245 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.39 149.92 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.226 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.164 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.05 -34.91 70.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.131 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -81.96 -49.93 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.158 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.1 -50.3 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.133 -167.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 36.5 mt -62.02 -46.4 91.75 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.173 -161.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 94.1 Cg_exo -47.59 -45.81 22.43 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.759 1.639 . . . . 50.0 111.206 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.61 -46.06 60.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.216 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.61 -45.38 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.242 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.6 -43.75 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.205 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.63 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.168 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.63 -47.43 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.166 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -81.66 -38.62 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.244 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.206 -174.09 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.821 0.343 . . . . 75.0 111.155 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.0 147.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.223 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 99.3 mt -105.03 -54.99 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.172 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -164.93 162.3 20.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.23 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.61 124.34 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 50.0 111.169 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -109.45 162.88 13.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.221 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.77 168.59 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.231 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 17.8 p -133.35 167.52 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.4 Cg_exo -54.12 -31.6 65.88 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.662 1.575 . . . . 50.0 111.266 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -100.69 110.1 22.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.194 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -69.68 -11.37 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.13 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.21 -17.59 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.5 t -132.48 146.92 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.219 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.57 155.32 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.221 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -105.81 126.73 52.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.143 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.3 mt -108.76 119.92 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.216 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.3 m -95.62 123.2 39.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -110.68 152.55 26.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.214 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.196 170.793 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.752 0.31 . . . . 75.0 111.206 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 86.3 p -74.61 147.26 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.165 -176.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -164.64 154.98 14.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.164 170.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -119.18 130.03 55.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.166 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -126.11 112.58 16.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.235 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -117.4 -24.94 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.276 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.92 141.9 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.0 111.23 -177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -63.06 127.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.184 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -155.06 171.7 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.183 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -78.28 -9.99 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.194 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -73.96 -20.45 60.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.161 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -94.55 154.03 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.0 111.132 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -50.86 145.07 25.13 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.718 1.612 . . . . 50.0 111.176 166.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.13 -44.81 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.21 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 38.5 p90 -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.226 -173.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -76.56 -33.57 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.149 169.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.89 -39.71 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.176 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.4 m-20 -52.73 -48.66 66.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.425 . . . . 50.0 111.145 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.57 -46.49 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.194 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.65 -38.2 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.228 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -75.64 -20.79 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.171 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' ASP . 73.8 t -63.05 120.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.205 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 124.74 19.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.154 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.09 -30.96 4.87 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 50.0 111.188 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.97 121.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 50.0 111.186 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -101.78 -50.07 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.253 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -145.15 134.84 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.156 -174.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -118.76 121.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.122 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -115.36 125.25 52.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.222 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' SER . 22.3 t-160 -116.48 120.21 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.242 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 58' ' ' MET . 11.2 p -147.16 140.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.206 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.423 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.7 mmm 58.03 -122.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.233 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.31 40.03 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -151.78 156.07 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.194 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.95 132.44 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 50.0 111.234 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 t -104.92 122.78 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.205 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -112.86 120.04 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.185 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -111.21 130.81 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.17 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -100.06 -179.96 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.207 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.19 160.59 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.24 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.01 -39.22 93.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.183 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.11 -41.71 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.169 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.56 166.11 21.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.253 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.6 160.0 30.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.173 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -72.51 -20.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.8 -40.09 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -85.77 -50.88 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.78 -49.71 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.215 -167.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 62.4 tp -63.96 -46.37 80.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.22 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.0 Cg_exo -49.82 -43.19 41.82 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.775 1.65 . . . . 50.0 111.173 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.69 -47.41 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.177 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.87 -49.48 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.206 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.67 -45.51 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.192 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.53 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.2 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 41' ' ' PHE . 47.0 t -59.42 -42.3 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.187 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -84.95 13.71 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.125 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.23 165.349 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 75.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 19' ' ' LEU . 96.1 mt -73.59 134.75 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.196 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -103.42 -47.89 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.246 170.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -161.51 130.21 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -105.01 130.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.164 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -136.96 161.66 35.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.202 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.62 169.49 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.212 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.5 p -127.84 167.25 19.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.196 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.9 Cg_exo -53.62 -32.28 63.82 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.773 1.648 . . . . 50.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -102.99 109.98 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.197 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -65.46 -15.55 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.185 -171.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.02 -27.44 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.236 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 t -122.62 149.87 43.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.227 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.7 ttm -127.11 143.96 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.257 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.52 129.91 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.175 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.08 108.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.189 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.1 m -81.55 122.29 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.173 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 3' ' ' ILE . 79.2 mt -114.2 159.84 19.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.135 -174.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.24 167.2 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.816 0.341 . . . . 75.0 111.221 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.1 p -80.0 145.49 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.16 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -166.5 158.16 13.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.237 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.6 m -125.69 130.07 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.093 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -128.97 143.47 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.136 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.4 p -124.82 -25.36 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.15 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.6 150.1 41.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.248 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.68 136.76 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.206 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.33 143.95 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.216 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.39 -23.7 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.151 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.8 p -69.92 -14.93 62.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.111 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -94.77 152.38 39.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.181 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.77 138.14 26.33 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.684 1.59 . . . . 50.0 111.254 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.81 -38.49 34.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.132 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -53.57 -53.51 50.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.187 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.49 -33.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.195 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.06 -46.8 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.215 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.07 -45.49 83.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.238 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.416 HG23 HG22 ' A' ' 78' ' ' VAL . 92.2 mt -59.57 -41.7 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.183 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.46 -38.94 75.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.17 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -76.74 -17.31 59.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.213 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.18 124.04 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.195 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.7 124.86 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.58 -29.9 7.57 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.284 -0.726 . . . . 50.0 111.284 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.99 126.49 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 50.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.99 -50.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -146.13 154.71 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.176 -174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.04 124.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.144 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -110.73 127.97 55.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.065 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -109.36 140.35 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.314 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.12 145.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.156 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 55.01 -105.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.18 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -141.71 33.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.275 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -145.32 164.94 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.227 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -113.4 134.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.227 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.7 t -107.67 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.192 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.54 117.58 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.198 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -105.36 119.72 39.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.227 -176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -99.69 -179.95 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.229 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.05 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.209 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.6 -40.44 91.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 50.0 111.122 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.84 -41.43 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.96 161.73 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.082 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -119.14 153.56 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.23 -21.29 63.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.256 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.03 -36.05 70.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.3 m -86.25 -50.42 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.136 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.04 -50.33 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -167.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 57.0 tp -63.83 -46.33 81.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.181 -161.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.3 Cg_exo -48.67 -44.15 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.759 1.639 . . . . 50.0 111.102 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 -45.96 62.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.182 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 HG23 ' A' ' 45' ' ' ILE . 69.9 t -60.68 -48.58 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.225 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.89 -42.5 72.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.143 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.93 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.187 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.1 -47.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.21 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -69.77 -16.92 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.236 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.175 178.396 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.1 tttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 75.0 111.236 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.7 mt -72.71 135.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.197 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.64 -44.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.215 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -150.88 127.86 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.201 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.69 132.72 59.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.264 171.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -136.97 168.16 20.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.239 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.24 169.89 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.206 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 p -129.49 167.96 18.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.19 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.7 Cg_exo -53.81 -30.53 57.67 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.706 1.604 . . . . 50.0 111.252 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -100.18 110.02 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.186 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -67.28 -14.51 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 75.0 111.242 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.5 -23.08 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.219 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -125.44 149.87 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.171 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.5 mtp -125.7 158.63 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.241 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -105.89 125.65 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.172 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.76 111.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.247 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.9 m -99.37 125.08 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.221 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.33 169.86 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 50.0 111.134 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.183 173.366 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.726 0.298 . . . . 75.0 111.249 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -76.48 120.89 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 50.0 111.277 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 33.7 m-20 -144.46 130.19 19.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.149 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.493 ' HG1' ' HD1' ' A' ' 55' ' ' PHE . 90.4 m -109.88 125.18 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 29' ' ' ASP . 96.8 m-85 -131.92 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.224 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.5 p -116.73 -26.74 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.222 170.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.64 160.18 20.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.149 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 46' ' ' LEU . 32.3 m -69.04 158.71 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.19 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -165.05 159.82 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.222 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -73.37 -19.86 60.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.233 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.2 p -75.37 -14.93 60.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.216 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.36 153.82 38.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.223 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.59 141.88 32.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.81 1.673 . . . . 50.0 111.137 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.14 -41.46 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.223 170.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -55.08 -50.06 70.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.131 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.27 -32.68 59.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.148 -174.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.0 -49.93 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.192 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.92 -46.65 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.113 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.418 HG23 HG22 ' A' ' 78' ' ' VAL . 84.6 mt -60.25 -43.8 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.149 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' A' ' 34' ' ' VAL . 71.1 mt -59.9 -36.71 77.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.328 -0.396 . . . . 50.0 111.197 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.36 -23.38 60.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.076 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.21 124.84 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.193 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.91 130.01 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.196 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.51 -30.53 6.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.244 -0.743 . . . . 50.0 111.244 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.95 125.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 50.0 111.116 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.11 -58.63 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.214 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 91.2 p -147.66 154.99 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -133.1 130.82 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.185 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HD1' ' HG1' ' A' ' 30' ' ' THR . 45.9 t80 -113.9 127.38 55.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.207 172.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -108.81 139.19 43.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.223 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -158.63 138.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.192 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp 55.18 -116.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.225 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -122.98 28.65 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.189 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 52.6 p90 -149.7 158.97 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.154 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.07 136.49 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.166 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -100.94 109.97 21.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.205 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.72 119.11 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.186 -175.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -111.86 119.98 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.143 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -98.73 165.39 11.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.252 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.09 155.33 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.267 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.53 -39.29 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.187 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.76 -40.78 75.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.252 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.41 147.12 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 50.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.76 148.38 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.203 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -69.91 -22.92 63.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.153 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -56.27 -37.37 69.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 75.0 111.271 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.36 -50.23 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.45 -50.55 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.114 -166.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.4 tp -62.53 -46.87 89.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 50.0 111.112 -163.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.9 Cg_exo -49.48 -44.43 34.9 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.665 1.577 . . . . 50.0 111.247 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.27 -46.3 64.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.26 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 45' ' ' ILE . 74.0 t -57.36 -51.5 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 50.0 111.292 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.12 -43.86 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.246 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.23 -41.76 76.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.226 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 45' ' ' ILE . 54.0 t -58.24 -49.01 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.174 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -63.05 -27.58 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.245 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.0 111.145 -175.783 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.726 0.298 . . . . 75.0 111.242 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.48 147.68 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.19 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -105.02 -55.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.14 170.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -162.84 169.49 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 130.89 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.255 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.2 t -116.5 133.51 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.233 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.07 171.36 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.217 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.454 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.7 p -134.97 166.84 26.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.194 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 54.2 Cg_exo -54.9 -28.79 60.55 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.586 1.524 . . . . 50.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -96.7 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.236 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -50.19 -39.89 45.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.144 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.94 -22.64 67.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.152 -164.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -124.35 146.35 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.256 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.9 mtp -133.62 155.02 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -108.95 130.34 55.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.247 -174.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.08 125.75 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -93.56 130.09 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.3 mt -106.6 153.16 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.17 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.151 175.602 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.812 0.339 . . . . 75.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -78.96 158.16 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.234 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -167.01 158.76 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.172 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.4 m -118.53 130.1 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.92 107.13 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.214 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -115.08 -46.84 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.213 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.76 143.79 44.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.12 128.96 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.172 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.37 146.3 28.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.167 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.175 -175.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -69.09 -14.84 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.185 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -89.44 156.35 48.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.223 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.8 Cg_exo -54.91 145.52 61.89 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.706 1.604 . . . . 50.0 111.174 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.208 171.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -73.07 -7.73 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.26 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 39' ' ' PRO . 32.2 mm -89.27 -42.23 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.229 167.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.27 -45.41 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.241 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -54.69 -49.18 71.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.47 -42.85 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.256 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.85 -38.19 64.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.228 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.78 -20.34 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 50.0 111.114 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.68 124.76 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.196 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.57 127.7 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.324 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.48 -28.68 8.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.282 -0.727 . . . . 50.0 111.282 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.33 128.59 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 50.0 111.217 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.77 -57.03 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.226 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -158.67 155.51 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.225 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -124.49 139.83 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 50.0 111.176 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -126.65 131.21 51.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.151 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.41 140.61 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.157 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.04 135.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.229 172.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtt 54.4 -104.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.266 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -132.61 25.09 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.236 -167.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.75 161.04 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.187 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -122.46 133.65 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -103.94 114.43 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.8 129.13 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.137 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.09 146.05 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.174 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -120.76 170.06 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.251 -175.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -74.54 155.25 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.2 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.21 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.48 -40.45 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.267 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.12 154.83 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.172 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -120.07 149.89 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.261 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -70.06 -19.78 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.184 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.68 -39.19 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.181 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.2 m -86.39 -50.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.148 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.7 -49.07 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 50.0 111.32 -167.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 51.2 tp -63.03 -46.4 86.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 50.0 111.211 -162.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 81.3 Cg_exo -48.7 -43.25 34.77 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.762 1.642 . . . . 50.0 111.182 177.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.85 -44.41 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.229 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.38 -54.14 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.48 -45.38 76.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.252 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.38 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.152 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.55 -40.0 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.157 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.98 4.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.245 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.245 176.821 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.833 0.349 . . . . 75.0 111.184 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.91 129.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.187 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -94.79 -45.03 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.181 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -162.35 139.8 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.143 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -111.26 115.25 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.192 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.8 p -113.86 165.42 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.122 -174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.42 169.74 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.276 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -130.65 168.27 17.74 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.207 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.4 Cg_exo -53.75 -30.15 55.31 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.652 1.568 . . . . 50.0 111.241 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -101.97 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.157 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -67.05 -14.55 63.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.0 111.189 -170.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.78 -20.52 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.197 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -126.3 147.83 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.188 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.2 mtp -126.7 158.91 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.18 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -108.59 123.02 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.279 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.45 109.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.222 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -88.81 126.84 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.14 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.36 153.3 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 50.0 111.171 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.233 172.329 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 75.0 111.187 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -75.51 149.75 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.194 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.16 159.18 25.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.209 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -121.28 128.62 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.241 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 83.2 m-85 -122.23 138.06 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.147 -177.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -125.1 -71.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.134 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.69 150.13 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.239 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.5 132.77 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -156.72 159.88 38.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.151 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -73.95 -31.43 63.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.304 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.4 p -65.21 -17.9 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -89.99 151.2 44.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.138 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.12 136.12 37.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.708 1.605 . . . . 50.0 111.207 170.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.63 64.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.232 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -66.69 -31.99 73.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.176 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.17 -38.54 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.194 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.53 -44.1 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.224 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.59 -47.45 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.143 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.98 -46.03 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.216 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.57 -36.35 78.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.13 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.15 -18.61 61.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.232 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.53 120.17 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.147 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.61 124.97 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.216 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.59 -20.85 17.6 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.198 -0.761 . . . . 50.0 111.198 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.13 125.55 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 50.0 111.108 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -95.18 -59.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 50.0 111.171 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.3 p -144.74 156.44 44.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 50.0 111.222 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 74.9 mt -127.23 136.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.236 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -121.22 121.79 38.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.271 167.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.32 114.28 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.199 -172.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -141.6 138.7 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.17 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm 64.75 -121.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.225 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -126.21 39.87 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.248 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 50.3 p90 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.235 174.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mm -114.65 136.79 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.173 -175.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.5 t -102.89 107.3 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.189 168.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -104.82 118.09 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.159 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -110.74 123.69 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.156 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -97.35 179.95 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.286 -176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.53 158.75 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.26 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.92 -39.94 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.175 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.04 -40.55 75.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.214 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 158.64 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.169 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -124.22 151.39 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.141 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -70.3 -23.17 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.227 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -41.1 65.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.141 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.8 m -87.35 -50.96 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 50.0 111.194 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.36 -47.68 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.154 -167.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.595 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.1 tp -61.46 -52.93 66.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.244 -164.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 23.5 Cg_endo -62.47 -36.19 67.26 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 50.0 111.151 -176.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.47 -44.13 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 50.0 111.145 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.78 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.178 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.63 -40.92 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.161 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.38 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.308 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.39 -39.96 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -91.12 37.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.225 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 75.0 111.257 170.149 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 75.0 111.231 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 19.9 tt -65.95 149.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.169 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.28 -45.15 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.173 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -163.24 167.13 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.94 123.7 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.221 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -104.98 141.49 36.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.18 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -76.89 162.28 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.167 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 61.8 p -138.03 163.4 48.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.245 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 44.2 Cg_exo -55.9 -27.75 64.72 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.674 1.583 . . . . 50.0 111.197 174.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.64 156.44 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.149 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.52 -50.0 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.235 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -73.67 -14.4 61.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.281 -0.418 . . . . 50.0 111.156 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 t -133.74 140.59 47.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.228 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.6 mtp -127.63 173.4 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.277 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -106.6 129.95 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.185 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.88 127.53 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.172 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -95.26 129.79 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.262 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.04 155.12 44.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.169 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.196 -179.196 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.841 0.353 . . . . 75.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.48 160.3 17.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.24 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -165.64 154.89 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.221 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -119.33 129.3 54.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 -176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -124.51 104.99 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.204 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -119.42 -30.95 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.237 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -125.21 152.17 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.178 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.25 133.34 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.53 146.83 19.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.215 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.29 -31.14 71.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.232 -175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -70.12 -13.55 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.212 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -92.79 152.86 42.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HB2' HG12 ' A' ' 42' ' ' ILE . 53.7 Cg_exo -50.6 137.18 41.4 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.69 1.593 . . . . 50.0 111.097 174.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.15 -47.5 65.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.154 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -70.05 -25.34 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 75.0 111.297 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.4 mm -71.75 -34.05 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.196 171.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.92 -44.64 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.246 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.22 -50.05 74.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.24 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 78' ' ' VAL . 15.2 tt -63.74 -34.2 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.216 -174.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.26 -37.39 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.22 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.33 -22.03 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.34 122.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.248 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.86 128.27 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.23 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.45 -32.64 6.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.226 -0.75 . . . . 50.0 111.226 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.29 125.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 50.0 111.148 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -99.08 -52.25 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.178 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -145.7 139.85 26.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.242 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mm -117.75 126.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -123.4 126.68 47.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.309 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -99.9 124.72 45.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.235 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -133.85 131.29 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.21 172.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.3 ttm 54.59 -105.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -130.41 24.4 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.134 -174.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.98 165.1 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.167 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.14 127.31 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.19 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -91.98 125.58 36.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.203 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -113.85 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.191 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.71 127.04 53.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.191 176.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -97.25 -179.93 4.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 -174.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -84.98 156.86 20.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.206 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.8 -40.03 94.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.201 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.09 -41.56 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.173 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.22 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.204 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.47 156.62 31.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.306 173.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -66.89 -26.32 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.206 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.54 -36.07 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.0 111.227 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.5 m -81.93 -49.13 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.67 -49.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.179 -166.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 33.7 mt -60.59 -46.68 97.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.157 -164.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 95.5 Cg_exo -46.56 -44.65 20.89 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.772 1.648 . . . . 50.0 111.21 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.91 -44.21 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.204 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 45' ' ' ILE . 76.2 t -54.89 -50.62 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.219 176.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.85 -45.62 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.18 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 50.0 111.188 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.66 -38.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.202 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 11.1 m-30 -93.39 21.46 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.204 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.126 170.448 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.5 tttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.791 0.329 . . . . 75.0 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 134.76 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.178 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -95.88 -46.17 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.257 171.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -162.16 138.95 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 50.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -102.58 115.17 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 50.0 111.117 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.1 t -100.02 148.37 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.161 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.94 168.95 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.192 170.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -135.01 159.62 71.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.17 -35.7 74.34 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 50.0 111.266 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -105.42 111.67 24.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.192 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -88.91 19.63 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 75.0 111.171 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.37 -6.56 59.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.157 165.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -142.66 146.06 34.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.278 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.4 mmm -114.74 153.26 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.128 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -109.31 123.89 50.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.249 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.07 112.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.199 -177.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -82.44 126.11 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.254 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.74 153.29 27.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.235 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.206 178.339 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.746 0.307 . . . . 75.0 111.207 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 94.5 p -76.4 145.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.123 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -166.92 154.26 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.251 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -123.05 129.96 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.179 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -128.17 118.94 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 50.0 111.169 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -121.74 -30.47 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.158 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -110.59 129.35 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.25 -174.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -56.4 124.82 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.254 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -155.08 170.83 20.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.181 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -75.29 -10.82 59.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.4 p -72.8 -20.57 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.224 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.72 152.38 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.167 173.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -50.0 145.79 18.52 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.768 1.645 . . . . 50.0 111.187 166.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.94 -44.33 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -74.49 -19.23 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.0 111.229 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.7 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.267 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.47 -38.49 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.194 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.1 m-20 -52.19 -48.6 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.27 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.17 -47.0 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.199 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.45 -38.15 73.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.215 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.96 -19.66 57.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.169 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' ASP . 66.1 t -60.13 121.4 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 175.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 111.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.173 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.26 -20.8 5.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.226 -0.749 . . . . 50.0 111.226 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.6 t -77.93 129.44 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 50.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.09 -56.07 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.208 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.3 p -150.45 154.7 38.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.262 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -119.51 118.07 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.195 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -115.23 131.33 56.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.263 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' SER . 52.0 t-80 -109.67 140.02 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.194 173.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 12.3 p -153.49 140.17 12.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.176 170.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 ttm 61.82 -105.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.157 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -141.14 31.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 53.1 p90 -144.9 165.1 29.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.23 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mm -110.32 133.43 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.152 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.6 t -105.17 109.93 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.235 166.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.39 120.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -112.28 126.83 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.18 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.26 179.91 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.39 160.73 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.261 171.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.28 -39.92 92.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.183 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.94 -40.22 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.19 156.17 10.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.152 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -120.34 147.54 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.263 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -70.48 -21.86 62.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.252 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.6 m -87.67 -50.7 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.222 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.45 -50.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.173 -164.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 49.4 tp -64.33 -45.37 78.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.169 -162.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.3 Cg_exo -50.14 -41.05 50.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.672 1.581 . . . . 50.0 111.27 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.18 -43.03 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.187 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.96 -48.28 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.238 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.63 -40.33 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.361 175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.9 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 50.0 111.181 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.13 -34.42 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.273 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.85 -26.15 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.174 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.209 178.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 tttt . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.7 0.286 . . . . 75.0 111.229 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.58 139.99 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.214 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.96 -54.87 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.215 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -158.53 167.86 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.138 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.99 116.27 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.243 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.7 p -108.03 163.34 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.15 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.78 168.63 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.257 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 p -134.46 164.98 40.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.138 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 53.2 Cg_exo -54.62 -31.81 72.11 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.606 . . . . 50.0 111.187 177.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -100.33 109.94 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 75.0 111.263 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -69.15 -9.86 54.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.18 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.12 -7.28 58.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.129 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 t -136.88 150.05 48.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.249 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -116.76 151.3 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.187 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -109.9 119.36 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.183 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.53 124.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.24 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -86.56 135.28 33.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.2 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.86 158.44 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.236 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.273 -174.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 75.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -138.63 152.12 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.165 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -164.61 156.73 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.156 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -118.68 130.06 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.252 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -121.75 104.29 9.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.155 -173.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -116.57 -30.13 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.159 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.01 165.87 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.192 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.28 124.01 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.175 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.92 160.12 41.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.187 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -73.86 -30.64 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.159 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.4 p -66.46 -14.87 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.255 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.02 153.92 47.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 75.0 111.233 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -52.26 136.13 54.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.789 1.659 . . . . 50.0 111.128 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.15 -45.13 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.165 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 75.0 111.22 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.5 mm -60.46 -38.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.235 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.76 -49.16 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.207 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.75 -47.85 83.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.119 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.79 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.173 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 mt -55.18 -40.3 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 50.0 111.215 173.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.36 -19.52 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.244 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.96 124.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.78 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.203 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.01 -26.4 15.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.189 -0.764 . . . . 50.0 111.189 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.43 129.19 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 50.0 111.135 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -93.93 -56.79 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.227 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -161.26 157.34 25.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.239 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.66 130.47 74.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.287 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.26 130.03 56.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.175 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -109.97 136.58 49.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.239 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.72 127.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.22 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.31 -118.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.211 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -113.26 22.22 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.151 -166.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -150.81 160.1 44.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.218 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.95 135.07 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.249 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 t -104.95 109.95 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.259 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.69 125.0 65.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.225 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.181 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.73 179.13 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.251 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -84.8 161.78 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 50.0 111.311 171.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.03 -39.77 95.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.192 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.38 -40.01 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.139 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.02 160.06 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.233 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.95 149.82 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.192 173.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -69.49 -26.93 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.239 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.44 -35.76 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.233 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -82.47 -49.59 9.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 50.0 111.124 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.12 -50.17 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.17 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 35.5 mt -61.4 -46.0 94.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.18 -163.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 76.5 Cg_exo -45.79 -44.28 18.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.751 1.634 . . . . 50.0 111.224 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.13 -45.3 61.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.6 -55.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.2 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -58.41 -38.76 78.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.222 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -41.47 73.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.186 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.38 -46.07 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.153 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -57.89 -30.09 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.268 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.247 -173.386 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 75.0 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 84.6 mt -97.12 139.75 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.099 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.8 mt -93.17 -52.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.251 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -157.93 157.29 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.25 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.7 123.84 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 50.0 111.249 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.0 p -118.11 168.28 10.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 50.0 111.134 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.24 169.41 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.249 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.9 p -130.24 160.0 67.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -33.74 81.97 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.742 1.628 . . . . 50.0 111.178 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -92.79 113.17 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.17 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 55.8 t-80 -70.03 156.91 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.186 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 77.2 m-20 80.38 12.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.153 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -146.72 141.11 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.259 166.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.5 mmm -115.5 152.92 32.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.134 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.35 119.81 40.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.197 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -108.27 117.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.223 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -85.11 128.56 34.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.242 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -100.78 156.11 17.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.196 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.155 178.451 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.771 0.319 . . . . 75.0 111.303 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -137.74 116.47 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.086 170.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -161.22 162.29 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.234 -166.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -115.36 130.63 56.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.191 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -118.58 119.54 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.194 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 p -119.29 -31.27 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.264 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.93 162.71 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.0 111.276 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.87 134.62 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.9 141.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.199 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.88 -30.04 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.194 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -71.04 -14.25 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.177 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -85.82 158.53 56.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.0 111.246 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.2 Cg_exo -54.88 146.67 55.4 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.595 1.53 . . . . 50.0 111.259 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.59 -51.26 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.231 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.02 -10.03 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.294 -174.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 39' ' ' PRO . 33.9 mm -86.42 -43.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.149 171.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.25 -44.04 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.299 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -55.21 -47.16 75.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.196 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.84 -44.92 75.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.148 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.24 -43.54 70.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.175 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -74.89 -12.27 60.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.212 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.49 124.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.168 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.81 128.75 38.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.221 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.71 -16.4 21.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.185 -0.766 . . . . 50.0 111.185 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.39 128.78 39.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.805 0.336 . . . . 50.0 111.172 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.96 -58.78 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.214 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -152.44 152.87 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.271 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.21 125.37 67.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 50.0 111.14 172.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -115.08 128.5 56.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.214 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -116.09 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.245 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -143.56 129.6 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.182 167.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm 54.93 -110.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.218 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -122.77 23.24 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 75.0 111.248 -164.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.78 155.18 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.17 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -123.39 133.76 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.199 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -101.58 112.24 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.71 121.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.266 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.83 130.34 56.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.162 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -101.03 179.88 4.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.273 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -84.38 162.41 20.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.271 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.76 -39.91 94.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 50.0 111.244 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.96 -40.1 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.198 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.71 157.61 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.247 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -125.01 151.7 45.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.225 174.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -70.34 -22.59 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.158 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.04 -40.04 63.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.137 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.6 m -87.2 -50.76 6.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.177 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.56 -50.03 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.196 -165.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 32.7 tp -65.1 -45.27 72.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.175 -161.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 89.1 Cg_exo -50.1 -42.77 45.15 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.643 1.562 . . . . 50.0 111.31 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.7 -45.98 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.211 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.31 -51.75 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.139 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.0 -47.24 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.68 -42.9 79.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.272 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.6 -39.55 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.202 -174.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -82.46 10.38 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.091 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 75.0 111.227 171.149 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HG2' ' HA ' ' A' ' 22' ' ' SER . 55.1 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.86 0.362 . . . . 75.0 111.245 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -105.4 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 93.5 mt -76.53 133.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.2 mt -93.42 -48.75 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 50.0 111.326 167.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -164.98 155.21 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.198 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.34 120.35 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.205 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -114.61 169.57 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.128 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.01 169.29 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.185 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.5 p -132.41 165.56 35.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.231 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 74.3 Cg_exo -53.95 -31.29 62.72 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.703 1.602 . . . . 50.0 111.209 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -102.4 110.11 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.175 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -69.5 -11.94 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 75.0 111.171 -168.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.16 -11.52 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -132.96 146.43 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.142 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -113.31 154.12 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.193 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -106.24 120.15 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.135 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -106.92 112.41 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.169 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.2 m -86.88 124.61 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.181 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 3' ' ' ILE . 72.4 mt -113.52 149.74 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.149 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -84.97 -54.91 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.174 168.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -91.27 136.82 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.0 111.154 166.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.5 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -117.88 -164.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.0 111.205 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -63.4 154.62 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.169 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -41.35 -46.4 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.0 111.212 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.06 129.53 9.12 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 75.0 111.167 167.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.465 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 59.3 mtt -87.02 16.86 4.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 50.0 111.23 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p -70.01 164.12 24.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.0 111.244 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -76.53 152.19 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.153 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -167.2 160.01 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -127.11 129.96 48.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.165 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 73.9 m-85 -125.5 129.62 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.276 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -122.68 -25.3 4.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.25 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.43 150.36 39.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.253 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.22 129.52 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.201 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -164.05 170.7 16.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.271 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.56 -19.55 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.269 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p -76.25 -15.16 60.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.161 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 19.8 mp0 -89.3 150.81 45.51 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.248 176.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -49.91 144.59 20.84 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.653 1.569 . . . . 50.0 111.167 167.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.06 -46.63 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.189 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -54.94 -47.39 74.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.15 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.82 -36.28 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.211 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.21 -48.56 72.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.171 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.71 -47.08 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.162 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.05 -43.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.25 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.57 -37.45 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.168 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -73.36 -23.26 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.246 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.82 123.98 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.161 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.56 125.14 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.224 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.33 -32.29 5.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.266 -0.734 . . . . 50.0 111.266 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.97 125.03 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 50.0 111.227 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -96.72 -56.85 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.225 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -148.47 154.07 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.1 mt -126.77 131.86 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.175 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -115.87 129.98 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.114 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -113.9 140.11 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.246 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.64 139.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.194 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttm 55.03 -106.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.0 111.224 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -136.3 33.29 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 75.0 111.126 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -150.54 156.51 41.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.53 134.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.255 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.0 t -101.43 111.3 23.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.133 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.48 115.19 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.184 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -110.38 132.98 53.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.124 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.602 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -119.53 169.81 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.16 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 154.96 36.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.165 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -57.74 -38.4 75.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.185 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.84 147.98 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.203 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -116.22 146.32 42.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 50.0 111.218 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -70.1 -24.84 63.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.149 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.04 -39.93 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.176 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.4 m -86.55 -50.42 6.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 50.0 111.228 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.88 -50.7 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.252 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 39.0 tp -64.6 -45.56 76.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.26 -162.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 86.6 Cg_exo -49.79 -42.94 42.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.683 1.589 . . . . 50.0 111.179 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.73 -45.08 76.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.11 -49.64 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.28 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -43.18 76.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.193 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.04 75.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.181 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.55 -50.96 46.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.127 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -65.17 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.233 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.38 -25.25 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.3 mt -47.11 -43.58 20.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.217 -171.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -99.83 -30.06 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 75.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.7 21.34 12.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 75.0 111.165 -173.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.46 134.46 56.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 75.0 111.184 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -119.7 151.69 38.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.179 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -160.74 176.04 11.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 75.0 111.189 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -134.98 64.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.143 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.0 m170 . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.183 -178.907 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.746 0.308 . . . . 75.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.48 136.8 49.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 75.0 111.202 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.99 130.16 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.207 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.99 -42.59 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.172 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -161.25 137.43 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.16 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.54 112.89 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.19 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -100.07 153.46 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.13 -174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.52 166.2 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.163 169.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 30.1 p -134.79 164.77 41.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.17 -177.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.7 Cg_exo -53.07 -33.51 63.67 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.776 1.651 . . . . 50.0 111.156 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -100.32 107.94 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.192 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -69.81 -10.06 57.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 75.0 111.224 -170.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.65 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -134.31 146.2 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.22 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.9 mmm -113.49 153.06 29.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.252 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.84 120.0 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.216 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.41 111.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.184 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.8 m -85.03 124.34 31.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.38 149.12 32.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 50.0 111.229 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t -78.61 -56.58 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.256 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -125.08 82.83 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 75.0 111.171 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.6 p -71.12 172.89 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.175 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.07 140.1 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 75.0 111.189 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -47.28 -40.05 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.0 111.194 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.97 70.27 1.8 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.248 -0.741 . . . . 75.0 111.248 174.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.0 mtt -76.14 0.42 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 50.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -61.07 161.09 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.182 171.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -64.93 143.63 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.173 -176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -157.78 152.03 24.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.239 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -117.11 128.76 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.221 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -125.04 105.27 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.191 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -118.14 -31.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.188 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.4 mttt -127.66 141.7 51.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.205 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.29 133.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.183 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -159.44 147.47 17.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.175 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.11 -29.99 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.202 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.8 p -69.98 -13.97 62.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 50.0 111.173 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 70.9 mt-30 -89.97 155.83 47.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.243 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.94 133.97 41.3 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.687 1.591 . . . . 50.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.91 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.246 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -55.43 -47.99 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 75.0 111.262 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mm -58.17 -39.8 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.241 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.29 -48.53 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.218 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.96 -47.04 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.173 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.65 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.178 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.45 -37.55 73.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.167 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.51 -22.97 59.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.05 122.83 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.2 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.81 126.3 27.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.147 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.68 -25.21 9.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.276 -0.729 . . . . 50.0 111.276 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.01 124.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 50.0 111.213 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -95.39 -59.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.2 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.8 p -149.96 148.9 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.199 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -124.96 139.99 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.206 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -126.26 122.61 36.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.194 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -101.97 129.06 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.162 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 128.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.243 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.2 mtp 59.63 -120.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.21 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -118.05 29.19 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.136 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -149.56 155.09 39.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.168 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -123.5 133.81 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.18 -172.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.6 t -100.24 112.32 24.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.405 . . . . 50.0 111.16 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.79 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.221 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.53 127.55 54.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -97.86 -179.95 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.235 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -84.46 159.97 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.246 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.66 -39.33 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.107 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.02 -40.3 75.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.115 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.68 158.77 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -123.55 147.6 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.124 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -70.07 -26.18 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.185 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.34 -34.9 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.176 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.0 m -82.7 -49.91 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.198 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.81 -50.27 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.253 -165.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 30.5 mt -61.75 -45.79 92.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.207 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 79.8 Cg_exo -46.62 -44.0 22.07 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.756 1.637 . . . . 50.0 111.157 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.7 -46.07 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -49.09 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.268 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.41 -44.11 72.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.95 77.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.242 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.5 -50.03 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.263 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -67.86 -30.68 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -104.61 30.03 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.282 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.75 -35.02 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 75.0 111.19 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.01 125.09 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.223 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -76.61 151.08 36.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 75.0 111.133 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -51.14 -47.04 62.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.0 111.158 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.17 64.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.409 . . . . 75.0 111.127 168.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.83 135.0 57.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.26 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -146.79 165.59 29.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 75.0 111.209 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.3 m170 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.168 -178.173 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 75.0 111.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -110.13 155.29 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 75.0 111.182 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.92 137.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.212 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 98.6 mt -96.09 -53.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.202 166.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -157.26 154.91 29.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.146 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.2 120.19 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.239 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -107.32 157.16 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.141 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.21 167.73 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.207 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 16.8 p -134.32 168.09 19.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.164 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.7 Cg_exo -54.06 -29.27 54.34 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.704 1.603 . . . . 50.0 111.131 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -98.5 110.04 22.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.174 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -51.48 -36.03 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.216 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -79.27 1.85 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.174 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -127.33 137.73 52.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.233 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.7 mmm -120.7 151.61 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.164 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -108.3 128.47 54.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.161 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -115.04 118.31 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.229 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.8 m -88.61 128.06 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.19 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.27 149.49 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.211 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -97.27 -32.61 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.205 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -85.23 144.86 27.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.0 111.201 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.8 t -88.66 104.89 17.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.209 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.99 148.5 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.243 173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -41.72 -45.8 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.205 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.04 130.44 9.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.218 -0.753 . . . . 75.0 111.218 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.412 ' HB3' ' HA ' ' A' ' 58' ' ' MET . 33.4 mmt -92.31 9.71 32.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 50.0 111.259 170.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.3 p -76.89 165.08 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.162 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -74.98 149.19 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.193 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -159.28 155.72 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.288 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -121.27 131.22 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.156 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -127.37 110.99 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.206 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.2 p -120.74 -33.11 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.227 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.2 mttt -122.87 139.71 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.233 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -59.75 133.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.239 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -159.97 159.88 32.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.153 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -74.83 -22.41 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.166 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.1 p -69.49 -15.05 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.193 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 51.1 mt-30 -99.56 151.83 37.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.221 -175.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.08 138.85 35.46 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.558 . . . . 50.0 111.235 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.73 -45.1 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.231 173.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -55.06 -46.97 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.194 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.83 -38.08 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.184 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.1 -48.89 72.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.176 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -56.36 -47.13 79.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 HG22 ' A' ' 78' ' ' VAL . 93.6 mt -61.85 -44.13 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.174 -177.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -57.64 -36.99 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.27 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.88 -23.94 60.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.154 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.9 120.49 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.228 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.63 125.87 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.157 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -26.38 8.01 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.231 -0.747 . . . . 50.0 111.231 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.73 127.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 50.0 111.181 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.62 -58.86 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.258 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.4 p -154.46 157.82 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.177 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.82 139.42 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.232 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -127.76 129.98 47.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -119.35 120.9 38.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 p -138.97 140.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.179 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 26' ' ' MET . 98.5 mmm 49.0 -129.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.143 -171.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -109.93 31.34 5.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.181 -170.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -148.31 154.71 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.156 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.1 mt -123.89 134.73 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.218 -176.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -99.29 115.51 29.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.212 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.29 123.34 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.171 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.28 145.57 49.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.253 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -105.96 179.96 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.206 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.31 160.4 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.219 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.81 -38.63 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.196 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.03 -40.57 78.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.224 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.83 160.24 20.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.257 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.66 151.26 48.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.204 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -69.99 -24.58 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.178 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.95 -40.42 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 75.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -86.59 -50.28 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 50.0 111.247 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.48 -49.53 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.196 -166.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 48.0 tp -63.38 -45.7 84.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 50.0 111.248 -162.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.7 Cg_exo -49.97 -42.67 44.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.741 1.627 . . . . 50.0 111.184 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.2 -45.5 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 45' ' ' ILE . 70.8 t -56.51 -49.3 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.211 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.26 -43.26 74.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.252 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.93 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.157 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -55.37 -49.75 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.167 -172.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.63 -21.45 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.107 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -97.66 5.08 49.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.21 -175.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.81 -30.33 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.265 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -84.46 -9.94 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.194 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -70.42 152.07 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.28 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -49.94 -40.03 42.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.228 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -72.36 -30.12 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 75.0 111.192 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 64.95 -155.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.177 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -170.16 -177.39 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.0 m170 . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.121 -179.139 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.777 0.322 . . . . 75.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -159.13 153.21 23.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.131 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.91 131.65 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.262 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.21 -44.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.192 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -162.65 139.85 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.298 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.6 mt -110.44 129.95 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.185 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -117.9 156.38 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.159 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.14 166.99 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.216 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.8 p -132.64 167.29 23.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.214 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.8 Cg_exo -53.97 -31.74 65.02 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.762 1.641 . . . . 50.0 111.152 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -96.24 109.89 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.0 111.279 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -70.21 -10.02 57.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.159 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -88.49 1.16 55.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 50.0 111.274 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -141.32 142.22 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.255 174.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.4 mtp -126.05 153.0 45.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.224 -175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.69 127.2 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.179 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.56 103.04 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.231 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -78.96 123.16 27.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.209 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.79 158.97 17.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.273 -174.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -78.5 -55.61 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.161 175.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -135.02 99.1 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.143 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -89.97 -161.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -43.65 138.89 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.295 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.44 -57.02 2.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.156 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.23 127.54 8.24 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.204 -0.759 . . . . 75.0 111.204 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 mmt -94.82 15.09 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 50.0 111.235 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.9 p -69.78 166.79 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.207 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -73.36 154.83 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.201 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.75 157.87 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.184 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.3 m -120.04 126.92 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.157 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 58.8 m-85 -125.33 104.9 8.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.227 -177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.1 p -121.84 -24.93 5.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.35 156.33 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.239 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.22 123.86 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.227 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -162.41 178.97 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.125 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.214 -172.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -72.97 -18.32 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.261 -171.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 13.9 mp0 -81.63 142.29 49.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.192 174.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.4 136.13 39.84 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.723 1.615 . . . . 50.0 111.245 172.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -43.34 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.248 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -57.63 -47.26 82.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.198 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.95 -35.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.205 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.84 -49.91 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.151 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.38 -47.86 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.183 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.55 -44.84 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.237 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.54 -37.9 73.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.159 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.51 -21.58 59.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.207 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.31 122.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.138 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.62 124.98 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.16 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -24.67 8.9 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 50.0 111.157 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.69 125.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 50.0 111.169 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.0 -58.38 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.143 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.2 p -150.69 151.79 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.221 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.9 mt -123.28 136.28 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.172 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -120.94 129.31 53.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.25 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.22 139.89 43.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.262 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.35 147.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.172 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.2 mmm 51.99 -131.52 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.187 -171.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -114.09 45.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 75.0 111.192 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -153.6 162.83 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.272 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.28 135.15 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 50.0 111.159 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -105.9 115.88 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.229 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -107.87 124.26 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.192 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -116.18 124.67 50.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.216 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -95.66 178.67 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.254 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.12 160.61 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.247 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.08 -39.19 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.96 -40.12 75.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.287 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 158.3 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.235 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.48 153.76 43.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 50.0 111.289 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -72.14 -20.6 61.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.234 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.75 -40.1 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.226 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -87.68 -51.23 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.18 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.53 -47.66 79.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.12 -167.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.4 tp -60.54 -52.96 69.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.249 -164.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.1 Cg_endo -61.98 -34.44 80.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.683 1.589 . . . . 50.0 111.163 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.33 -43.23 82.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.151 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.39 -45.13 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.121 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.72 -43.07 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.229 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.42 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.175 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.1 t -55.86 -49.47 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.233 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -74.99 -14.79 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.114 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.86 -26.4 64.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.18 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.2 -24.98 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.236 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 51.57 59.94 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 75.0 111.255 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -72.49 100.11 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 75.0 111.155 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.34 -20.71 13.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.0 111.238 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.94 66.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.143 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -148.38 129.84 14.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.226 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -72.05 122.5 21.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 75.0 111.159 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.1 m170 . . . . . 0 C--O 1.201 -1.492 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.201 175.267 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.72 0.295 . . . . 75.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -139.62 124.86 18.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.236 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 18.0 tt -69.89 147.27 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.218 -172.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -54.32 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.19 173.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -161.7 164.64 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.7 mt -123.01 121.69 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.165 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -109.27 164.9 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.175 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -89.98 168.76 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.249 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.8 p -134.57 166.32 30.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.245 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.8 Cg_exo -53.71 -32.61 66.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.691 1.594 . . . . 50.0 111.196 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -101.4 109.94 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 75.0 111.204 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -69.92 -10.8 59.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.237 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -78.14 -8.71 58.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.216 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -135.01 147.14 49.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.226 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mmm -118.59 154.98 31.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.185 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -106.24 127.15 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.141 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.42 123.78 69.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.159 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -99.83 121.8 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.255 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -110.42 150.25 29.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.203 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -81.07 -36.77 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.146 171.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -126.69 153.06 45.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.14 171.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 p -119.34 -170.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.282 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -58.74 171.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 75.0 111.176 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -42.38 -50.72 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.144 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.59 142.85 15.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.257 -0.737 . . . . 75.0 111.257 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.0 mtt -99.11 41.6 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 50.0 111.137 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.3 p -99.57 173.9 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 75.0 111.179 173.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -74.19 148.47 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.102 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.57 159.71 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 50.0 111.17 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -119.08 131.26 55.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.187 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -127.89 120.87 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.189 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.7 p -119.94 -40.48 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.181 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.88 153.85 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.264 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.49 133.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.264 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -156.46 159.96 39.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.262 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.93 -38.21 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.174 -173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -66.62 -19.24 65.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.204 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -85.82 149.97 52.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.241 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -50.45 131.15 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.723 1.615 . . . . 50.0 111.232 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.32 -37.62 48.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.186 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.238 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.45 -39.91 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 50.0 111.222 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.77 -43.07 94.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.252 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.21 -49.9 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 50.0 111.221 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.23 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.212 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.93 -37.29 71.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.159 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -72.81 -26.06 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.218 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.26 123.04 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.19 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.45 125.76 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.188 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.4 -25.69 8.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.175 -0.77 . . . . 50.0 111.175 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.76 124.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 50.0 111.223 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.97 -59.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.199 -175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -145.11 152.27 39.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.22 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.9 mt -128.22 135.84 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.203 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -118.71 127.94 54.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.158 169.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.86 117.64 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.234 -176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.91 139.99 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.19 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm 64.79 -124.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 75.0 111.214 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -121.19 30.94 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 75.0 111.182 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.64 155.14 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.173 175.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -125.65 134.96 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.213 -173.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 t -103.24 115.21 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.195 173.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.17 117.76 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.221 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.28 127.72 54.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.218 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -98.38 179.94 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.27 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.53 160.03 20.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.283 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.06 -39.41 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.127 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.92 -39.98 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.196 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.31 159.47 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 50.0 111.218 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -125.99 147.15 49.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.264 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -69.96 -25.14 63.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.272 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.55 -38.64 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.0 111.212 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -81.41 -50.03 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.233 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.83 -51.28 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.213 -164.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 34.7 mt -62.79 -45.43 87.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.196 -162.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 84.3 Cg_exo -46.89 -44.24 22.84 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.676 1.584 . . . . 50.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.62 -44.03 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.233 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.04 -51.35 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.212 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.7 -42.09 74.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.245 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.83 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.234 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -51.86 -47.89 39.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.164 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 67.1 m-85 -80.03 -30.54 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.202 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -74.54 3.9 6.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 75.0 111.316 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.39 -34.98 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.205 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 55.5 39.51 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 75.0 111.213 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 64.2 m170 -82.59 149.91 27.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 75.0 111.184 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -79.09 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 75.0 111.198 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -116.16 81.34 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.274 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 86' ' ' HIS . 78.9 t60 -83.75 131.14 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.159 -175.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -125.98 137.91 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.234 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.242 -0.435 . . . . 75.0 111.192 -178.831 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.867 0.365 . . . . 75.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -131.52 131.67 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.21 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.34 131.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.187 -166.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -99.44 -47.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.156 166.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -163.28 137.31 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.207 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.8 mt -110.58 133.08 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.223 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.4 p -138.92 160.83 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.118 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.49 169.63 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.129 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 43.1 p -124.81 164.54 30.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.159 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 52.3 Cg_exo -55.25 -29.57 67.64 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.716 1.611 . . . . 50.0 111.215 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.28 140.52 30.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.213 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 48.3 t-80 -88.03 154.54 20.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.622 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 92.9 m-20 76.71 13.31 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.207 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 t -148.65 137.74 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.165 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mtp -130.11 158.65 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.199 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -112.29 128.69 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.206 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.9 122.95 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.22 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.4 m -91.66 123.09 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.221 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -115.04 154.81 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.237 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -81.21 -56.39 4.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.251 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -129.58 81.27 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.094 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -75.03 -170.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.0 111.194 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -37.54 133.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.0 111.194 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.34 -57.07 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.192 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 117.41 8.08 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.157 -0.777 . . . . 75.0 111.157 173.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.29 6.32 43.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 50.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -72.66 165.83 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.239 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.7 p -74.15 150.82 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.165 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -162.02 157.41 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.234 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m -119.18 135.25 54.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.254 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -122.79 109.24 13.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.172 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.8 p -118.74 -29.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.215 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.23 164.21 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 75.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -86.67 125.54 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.215 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -144.86 160.0 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.128 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -72.12 -31.35 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.216 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -66.49 -15.61 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.257 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -90.11 150.18 42.88 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.165 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.96 137.91 52.54 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.647 1.565 . . . . 50.0 111.175 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.13 54.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.223 171.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -53.69 -45.91 70.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.208 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.21 -40.25 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.225 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.36 -48.31 76.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.216 -173.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.04 -48.15 76.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 50.0 111.247 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.89 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.16 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 mt -54.1 -40.19 67.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.16 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.65 -18.43 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.211 -175.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.82 123.88 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.212 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.24 129.65 42.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.174 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.96 -25.27 11.73 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.191 -0.764 . . . . 50.0 111.191 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.8 t -75.0 125.76 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 50.0 111.168 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.81 -55.99 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.22 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -159.83 157.27 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -124.92 134.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.22 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -120.28 130.02 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.417 . . . . 50.0 111.212 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -112.73 140.23 47.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -161.01 144.75 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.309 170.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm 59.18 -125.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.247 -172.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -121.54 41.59 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.216 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.29 164.93 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -123.82 137.76 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.227 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.5 t -110.34 115.8 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.16 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.69 131.23 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.176 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -123.48 144.98 49.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.155 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -112.19 177.93 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.26 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.69 159.99 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 173.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.27 -39.61 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.202 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.03 -40.52 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.174 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.98 158.51 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.192 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -126.28 154.82 42.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.203 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.99 -21.85 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 50.0 111.215 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.75 -36.83 70.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.5 -50.49 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.238 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.56 -50.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 -166.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 63.1 tp -64.25 -46.12 78.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.141 -162.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.3 Cg_exo -49.54 -42.29 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.781 1.654 . . . . 50.0 111.152 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.87 -43.3 72.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -53.04 -51.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.218 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -53.49 -46.52 70.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.158 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.64 72.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.12 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.7 -48.32 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.135 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.86 -27.35 68.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.205 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.26 -8.45 59.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.22 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.12 -36.06 83.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.22 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 55.53 41.52 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.189 -175.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -93.52 128.1 39.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.21 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -130.02 -5.11 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.24 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -130.12 164.63 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 75.0 111.141 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -72.69 167.72 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 75.0 111.155 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -89.98 151.93 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.205 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.242 0.411 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 97.2 mtp . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.748 0.309 . . . . 75.0 111.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -140.57 133.65 29.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 75.0 111.24 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -69.85 148.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.25 -174.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.67 -54.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.286 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -165.13 152.37 10.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.212 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.0 mt -113.38 123.59 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.237 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -110.32 163.02 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 50.0 111.227 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -91.99 167.71 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.241 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -133.27 168.01 20.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.168 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 71.0 Cg_exo -54.09 -32.05 67.65 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.731 1.621 . . . . 50.0 111.228 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -102.8 110.1 21.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 75.0 111.173 172.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -67.53 -15.37 63.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.198 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -69.88 -21.24 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.155 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -125.32 150.03 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.207 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.42 158.86 38.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.24 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -105.59 127.56 53.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.184 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.16 114.48 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.179 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.4 m -89.58 123.72 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.266 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.11 154.62 28.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.131 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p -79.13 -36.98 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.132 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 98.2 mt-10 -131.47 160.06 36.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.108 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t -131.73 -162.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.0 111.197 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.24 152.08 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.237 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -39.3 -45.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.146 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.35 129.22 9.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.23 -0.748 . . . . 75.0 111.23 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.2 mtt -96.9 18.4 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 50.0 111.227 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -70.57 165.0 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.153 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -68.76 149.96 48.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.215 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -161.73 159.89 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.187 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -121.29 130.11 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.411 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 93.7 m-85 -124.94 111.53 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 50.0 111.228 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.5 p -121.23 -33.33 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.196 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.54 146.32 49.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.225 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.48 135.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.201 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -158.05 146.57 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.26 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -32.44 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.158 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -69.98 -15.03 62.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -90.59 153.9 45.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.254 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.13 128.0 21.23 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.77 1.647 . . . . 50.0 111.183 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.61 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.264 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -55.12 -49.56 71.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.224 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.84 -33.33 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.24 -45.35 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.268 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.52 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.228 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 94.1 mt -59.98 -42.83 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.83 -38.36 72.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.193 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.8 -21.37 59.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.239 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.51 121.64 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.131 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.9 125.15 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.146 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -24.13 8.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.163 -0.775 . . . . 50.0 111.163 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.92 125.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 50.0 111.252 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.98 -57.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.19 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.5 p -146.5 152.37 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.238 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 87.7 mt -125.81 135.99 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.219 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -122.98 127.45 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.155 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -101.19 126.06 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.227 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.7 p -143.68 134.03 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.28 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.1 ttm 62.68 -124.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.18 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -120.56 31.09 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 49.0 p90 -142.07 161.84 36.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.202 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 mm -117.13 132.22 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.233 -170.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -106.3 114.01 27.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.243 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.92 124.94 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.24 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -111.02 126.82 55.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.174 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.92 179.71 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.274 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.25 160.37 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.238 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -40.56 97.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 50.0 111.213 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.97 -40.51 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.239 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.42 159.62 12.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.153 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.82 153.8 46.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -71.04 -19.93 62.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.156 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.1 -37.5 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 111.202 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.8 m -87.23 -50.98 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.229 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.83 -46.78 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.186 -168.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 9.1 tt -58.58 -52.87 71.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.212 -165.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.2 Cg_endo -60.98 -35.58 87.05 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.757 1.638 . . . . 50.0 111.179 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.2 -44.37 79.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.137 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 61.0 t -61.51 -44.7 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.13 -42.11 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.145 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.36 79.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.187 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.2 -47.18 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -79.03 -33.51 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.193 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.22 60.03 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.234 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.73 -26.55 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.183 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.18 -34.47 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 75.0 111.169 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -101.78 -5.51 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.225 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -94.35 -54.12 3.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.173 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -116.42 170.34 8.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 75.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -71.21 168.84 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.205 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -66.67 134.49 52.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.11 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.138 -0.483 . . . . 75.0 111.203 -179.072 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.83 0.347 . . . . 75.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -150.38 138.35 20.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.174 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.13 132.2 32.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.161 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.0 mt -104.99 -48.58 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.215 164.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -163.62 135.04 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.141 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -111.64 133.12 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.245 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.8 p -133.58 164.28 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.223 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.81 168.37 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.209 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 21.8 p -128.17 168.95 13.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.147 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 73.9 Cg_exo -53.86 -29.12 51.65 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.683 1.589 . . . . 50.0 111.247 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -93.37 111.56 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.117 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -51.71 -37.51 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.192 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.79 -11.4 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.157 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -120.43 138.22 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.218 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mtp -129.8 155.09 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.2 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -108.59 131.07 55.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.18 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -116.04 115.48 49.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.199 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -90.02 122.67 33.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.223 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.62 155.45 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.204 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p -83.02 -52.14 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.258 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -99.05 158.12 15.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 75.0 111.259 169.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.403 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 9.3 t -137.65 -164.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.301 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.25 152.04 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 75.0 111.223 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -39.69 -46.68 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.208 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 130.99 10.38 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.205 -0.758 . . . . 75.0 111.205 168.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.403 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 61.0 mtt -92.59 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 50.0 111.235 -177.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -94.77 167.22 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.0 111.145 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 91.5 p -80.09 144.96 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 50.0 111.158 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -167.23 156.53 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.179 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.9 m -120.84 127.11 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.17 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.97 144.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.143 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.5 p -123.18 -25.14 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.23 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.93 154.64 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.175 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -65.59 139.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -158.24 157.51 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.297 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -76.54 -13.28 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.195 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.2 p -74.62 -14.4 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.169 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.96 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.18 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.19 144.97 21.49 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.698 1.598 . . . . 50.0 111.175 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.1 -39.1 55.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.165 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.51 -36.41 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.169 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mm -80.49 -40.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.166 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -65.56 -46.28 80.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.213 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.79 -47.12 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.155 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.31 -44.56 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.269 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 54' ' ' ILE . 80.9 mt -56.9 -37.92 72.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.14 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.76 -21.38 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.265 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.82 123.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.202 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.18 125.86 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 50.0 111.228 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -27.64 7.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.306 -0.717 . . . . 50.0 111.306 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.34 128.6 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 50.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.52 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.235 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -154.67 157.61 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.113 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.4 HD12 ' HG ' ' A' ' 46' ' ' LEU . 76.2 mt -128.87 128.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.228 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.21 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.9 t-80 -111.56 134.66 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.175 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -153.99 131.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.236 172.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm 61.64 -124.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.205 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -117.42 34.31 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 51.7 p90 -149.96 155.46 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 175.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.71 137.79 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.234 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -105.0 110.42 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.149 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.19 127.7 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.247 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -127.22 145.8 50.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.147 -175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -110.04 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.224 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.49 165.5 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.245 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.48 -40.13 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.163 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.75 -40.22 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 158.12 21.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.158 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.37 151.73 47.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -70.09 -23.4 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.267 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -40.2 64.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 75.0 111.174 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.7 m -85.97 -50.43 7.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.239 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.82 -49.57 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.178 -166.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.6 tp -62.72 -47.26 88.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.191 -163.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.5 Cg_exo -48.86 -44.03 33.22 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.738 1.625 . . . . 50.0 111.247 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -42.51 77.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.134 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -53.57 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.243 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.78 -40.64 76.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.316 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.7 -41.24 77.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 50.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.2 -44.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.15 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -76.93 -35.14 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.201 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -99.21 66.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.228 -175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.85 4.09 54.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 75.0 111.224 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.0 0.58 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.188 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -79.43 145.23 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.2 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -131.49 -4.91 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.212 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -127.32 4.61 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.172 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -120.27 169.66 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.132 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -157.43 164.32 37.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 75.0 111.224 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.5 m80 . . . . . 0 C--O 1.201 -1.478 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.21 -178.891 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.778 0.323 . . . . 75.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -132.27 129.3 39.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.0 111.214 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' HG3' ' A' ' 79' ' ' GLU . 17.4 tt -63.32 143.07 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.222 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.6 mt -105.54 -53.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.202 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -160.34 165.78 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.19 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.88 124.71 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.219 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.8 p -112.99 160.8 17.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.36 168.67 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.228 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.453 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.1 p -133.37 166.91 25.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.287 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.8 Cg_exo -54.85 -30.86 70.15 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 121.761 1.641 . . . . 50.0 111.223 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -101.83 110.3 22.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.287 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -67.82 -14.28 62.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.216 -171.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.32 -20.39 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 t -131.86 149.96 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.222 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.2 mtp -126.33 160.29 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.153 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -107.44 127.58 53.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.175 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.3 mt -116.62 121.25 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.21 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.9 m -95.13 127.03 40.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.172 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -113.48 155.98 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.224 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -77.3 -52.53 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.22 175.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -112.04 174.32 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.152 166.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 11.3 t -136.97 -167.82 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.195 -170.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -53.75 156.76 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.243 171.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HG3' ' ND1' ' A' ' 89' ' ' HIS . 37.6 tt0 -38.57 -48.88 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.248 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.61 142.62 16.4 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.226 -0.749 . . . . 75.0 111.226 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.427 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 60.9 mtt -93.78 41.28 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 50.0 111.147 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 p -99.6 164.94 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.152 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -70.1 154.59 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.13 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -162.87 154.68 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.263 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -119.97 128.68 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.173 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -123.93 105.05 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.232 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.1 p -119.11 -42.74 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.119 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.43 139.72 50.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.226 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.93 123.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -137.53 161.07 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.27 -30.34 64.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.209 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.5 p -65.62 -17.83 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.152 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -89.99 149.31 41.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 75.0 111.189 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.7 Cg_exo -51.47 135.54 47.53 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.705 1.603 . . . . 50.0 111.238 174.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.83 -44.78 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.188 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 81' ' ' VAL . 43.5 p90 -71.94 -24.63 61.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.207 -176.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 39' ' ' PRO . 30.9 mm -71.78 -34.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.153 169.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.22 -42.29 99.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.231 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.91 -48.69 72.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.211 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.32 -45.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.16 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.99 -37.58 77.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.2 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.96 -18.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.171 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.01 125.03 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.107 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 126.41 27.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 50.0 111.278 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.55 -22.4 24.33 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.222 -0.751 . . . . 50.0 111.222 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.4 t -76.34 125.04 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 50.0 111.197 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -99.67 -51.56 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.222 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -146.85 132.74 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.186 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -113.16 117.97 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -113.62 126.81 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.171 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.0 136.3 40.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.166 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.22 131.43 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.197 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 54.51 -105.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 75.0 111.219 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -135.76 32.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.247 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -149.98 159.09 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.124 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.05 136.04 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.228 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -100.55 111.79 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.062 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.4 t -104.55 115.08 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.203 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -111.45 122.84 48.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.214 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -99.95 -179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.06 144.94 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.213 167.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.55 -35.41 80.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.188 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.48 -40.99 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.212 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 167.99 6.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -123.94 152.39 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.192 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -70.61 -23.07 62.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.19 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.43 -39.89 64.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.235 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.23 -50.41 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.157 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.99 -50.11 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.145 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 29.7 tp -64.54 -45.49 76.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 50.0 111.145 -161.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.0 Cg_exo -51.02 -43.86 45.52 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.821 1.681 . . . . 50.0 111.17 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.05 -48.01 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.238 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.89 -45.07 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.191 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HD13 ' A' ' 3' ' ' ILE . 86.9 tt0 -54.4 -44.2 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.275 176.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.0 -38.11 67.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.135 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 41' ' ' PHE . 74.2 t -61.53 -39.27 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.292 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -79.7 4.3 16.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.194 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -102.05 8.76 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.274 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.41 -21.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.202 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 58.39 45.45 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 75.0 111.233 -173.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CE1' ' O ' ' A' ' 91' ' ' HIS . 66.8 t-80 -68.91 141.95 54.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 75.0 111.257 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -49.49 135.13 18.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 75.0 111.112 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.8 -46.17 74.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 75.0 111.271 -175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.405 ' ND1' ' HG3' ' A' ' 24' ' ' GLU . 97.2 m-70 -85.09 -174.41 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 75.0 111.161 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 64.85 -155.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.0 111.204 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.536 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 97.0 m-70 . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.239 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.782 0.325 . . . . 75.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -149.79 126.18 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.203 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 tt -92.17 149.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.245 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -102.73 -55.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 50.0 111.196 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -169.0 165.47 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.174 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.51 126.25 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.23 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.7 t -121.75 133.94 54.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.214 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -63.78 160.17 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.228 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 36.9 p -125.53 165.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.202 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 50.2 Cg_exo -56.74 -25.0 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.602 1.534 . . . . 50.0 111.113 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -82.07 108.93 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.163 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.506 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 17.8 t-160 -59.47 136.84 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.206 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 74.1 m-20 77.81 12.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.139 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -135.34 136.21 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.301 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 91.2 mtp -129.96 155.07 46.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.234 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -106.7 130.36 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.124 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -106.56 121.23 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.186 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.0 m -100.38 120.09 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.165 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -108.3 139.22 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.193 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -74.9 -41.4 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.239 167.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.21 121.88 27.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.244 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -99.11 -164.12 1.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 75.0 111.195 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -53.29 142.04 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.263 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -43.13 -45.53 5.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.93 117.18 5.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.124 -0.791 . . . . 75.0 111.124 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.26 42.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.314 . . . . 50.0 111.14 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.2 p -85.0 164.95 17.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.217 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -78.45 128.77 34.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.132 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -143.18 153.43 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.187 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -114.16 129.88 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.202 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -122.76 110.49 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.4 p -121.11 -26.6 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 50.0 111.165 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 89.1 tttt -135.07 130.12 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.172 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.55 132.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.089 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -159.82 148.15 17.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.211 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.97 -29.86 70.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.101 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -69.94 -13.96 62.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.146 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 66.1 mt-30 -90.06 154.62 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.0 111.178 -178.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -48.38 132.68 24.6 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.736 1.624 . . . . 50.0 111.085 171.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.65 -42.19 61.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.22 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -54.7 -50.04 69.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.201 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mm -57.83 -39.49 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.04 -49.01 74.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 50.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.48 -46.04 80.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.245 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 96.0 mt -62.08 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.97 -36.95 75.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.22 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -72.73 -21.25 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.098 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.98 119.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.216 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.87 124.81 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.167 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.11 -28.65 6.52 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 50.0 111.207 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.06 126.82 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 50.0 111.193 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.0 -59.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.183 -174.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -151.97 151.56 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.178 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -125.69 139.57 50.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.264 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -124.72 122.48 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.304 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -115.29 112.01 21.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.286 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -133.35 135.03 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.172 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.7 mtp 57.25 -123.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.263 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -115.84 27.52 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.0 111.194 -172.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 54.5 p90 -147.35 155.21 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.116 177.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -125.96 129.86 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.201 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 t -100.34 119.67 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.151 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.5 t -118.12 127.83 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.215 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.72 146.8 50.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.215 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.02 179.78 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.261 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.62 162.94 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.215 172.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.64 -39.35 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.18 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.25 -40.26 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.256 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.32 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.29 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.6 152.74 47.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.263 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -69.97 -21.22 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.232 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -37.77 70.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.15 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.21 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.62 -50.01 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 50.0 111.244 -167.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.5 tp -62.82 -47.05 88.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 50.0 111.229 -162.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.6 Cg_exo -48.81 -44.01 33.03 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.632 1.555 . . . . 50.0 111.18 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.11 -44.51 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.142 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 71.2 t -56.12 -50.67 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.212 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.69 -42.78 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.244 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.96 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.134 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.91 -45.55 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.294 -176.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.75 -13.53 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.249 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -93.25 5.91 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.193 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.23 -23.21 57.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.282 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 58.5 40.31 24.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.2 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -82.78 144.24 30.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 75.0 111.188 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.87 129.31 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 75.0 111.142 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -131.37 160.03 36.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.188 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -158.72 173.9 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.189 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -70.39 167.79 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.16 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.4 m170 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.249 -0.432 . . . . 75.0 111.22 178.102 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.842 0.353 . . . . 75.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -162.89 133.79 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.167 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.05 129.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.178 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.1 mt -100.79 -45.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.194 164.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -162.19 130.36 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.191 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -108.42 125.27 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.3 p -133.29 171.94 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.164 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.58 169.84 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.151 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 31.8 p -128.09 166.42 24.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.107 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 60.5 Cg_exo -55.12 -29.39 65.61 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.662 1.575 . . . . 50.0 111.25 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -97.65 139.11 34.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.208 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 51.2 t-80 -85.71 157.27 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.198 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 85.3 m-20 73.78 13.63 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 t -149.85 138.8 21.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.29 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mtp -129.7 159.71 35.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.186 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -108.83 130.62 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.182 -174.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.63 104.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.254 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.1 m -78.6 125.63 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.15 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -113.59 153.7 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.115 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -73.7 -51.28 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.226 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -144.98 109.47 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.146 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.5 t -89.98 -159.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 75.0 111.21 -174.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -56.51 168.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.236 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -48.47 -49.45 35.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.207 -173.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.63 145.8 17.93 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.171 -0.772 . . . . 75.0 111.171 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mmt -94.24 10.21 34.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 50.0 111.201 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 166.12 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.181 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -73.9 153.38 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 -176.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -163.72 154.64 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.132 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.6 m -117.54 127.1 53.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.229 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 61.1 m-85 -124.95 105.96 9.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.184 -176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.9 p -120.74 -22.98 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.165 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.58 155.07 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.0 111.249 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -92.11 125.06 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.252 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -169.59 174.98 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.172 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.83 -30.99 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.247 -173.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 91' ' ' HIS . 84.2 p -72.89 -14.64 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.151 -174.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.646 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 15.5 mp0 -89.88 145.58 33.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.253 173.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.44 137.18 48.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.729 1.619 . . . . 50.0 111.167 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.26 -54.9 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.184 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -53.6 -45.69 70.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.197 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mm -57.56 -39.25 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.241 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.31 -46.16 89.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.15 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.85 -48.32 78.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.161 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.55 -41.14 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.217 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.29 -39.0 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.138 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.11 -19.56 58.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.163 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.42 123.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.176 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.19 125.05 22.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.32 -26.9 9.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 50.0 111.182 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -74.1 125.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 50.0 111.091 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.01 -57.72 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.248 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -148.21 154.0 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.132 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.03 138.52 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.278 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -124.73 127.68 47.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.228 172.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -106.51 141.59 37.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.215 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 58' ' ' MET . 8.2 p -161.94 145.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.222 172.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.5 mmm 59.15 -123.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.249 -175.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.37 42.38 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.253 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.84 163.02 40.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.294 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.9 mt -117.13 134.77 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.264 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -104.92 120.25 40.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.215 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.91 122.35 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.214 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -112.14 122.11 46.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.178 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -98.96 179.94 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.182 -175.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.4 153.5 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.254 170.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.86 -37.07 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 50.0 111.206 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.38 -40.45 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.199 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.83 158.49 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.245 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.39 149.92 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.226 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.164 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.05 -34.91 70.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.131 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -81.96 -49.93 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.158 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.1 -50.3 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.133 -167.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 36.5 mt -62.02 -46.4 91.75 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.173 -161.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 94.1 Cg_exo -47.59 -45.81 22.43 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.759 1.639 . . . . 50.0 111.206 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.61 -46.06 60.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.216 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.61 -45.38 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.242 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.6 -43.75 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.205 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.63 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.168 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.63 -47.43 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.166 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -81.66 -38.62 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.244 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.97 -29.81 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.176 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 51.64 39.82 25.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 75.0 111.238 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -83.49 178.48 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.157 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -50.13 130.67 22.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -143.7 130.05 19.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.156 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -157.08 170.77 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 75.0 111.128 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -155.01 165.09 37.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.138 -0.483 . . . . 75.0 111.163 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 37' ' ' SER . 79.9 m80 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.293 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 96.1 mtp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.754 0.312 . . . . 75.0 111.252 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.1 130.0 28.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.155 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.0 147.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.223 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 99.3 mt -105.03 -54.99 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.172 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -164.93 162.3 20.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.23 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.61 124.34 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 50.0 111.169 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -109.45 162.88 13.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.221 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.77 168.59 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.231 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 17.8 p -133.35 167.52 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.4 Cg_exo -54.12 -31.6 65.88 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.662 1.575 . . . . 50.0 111.266 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -100.69 110.1 22.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.194 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -69.68 -11.37 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.13 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.21 -17.59 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.5 t -132.48 146.92 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.219 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.57 155.32 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.221 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -105.81 126.73 52.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.143 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.3 mt -108.76 119.92 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.216 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.3 m -95.62 123.2 39.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -110.68 152.55 26.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.214 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -81.12 -41.12 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.196 170.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 97.6 mt-10 -129.87 144.63 51.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.0 111.204 171.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 m -110.53 -176.1 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.214 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -53.43 161.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.184 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -41.03 -53.17 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.0 111.222 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.34 134.66 12.78 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.162 -0.775 . . . . 75.0 111.162 174.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -104.95 20.0 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 50.0 111.153 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -77.46 165.01 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.206 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 86.3 p -74.61 147.26 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.165 -176.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -164.64 154.98 14.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.164 170.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -119.18 130.03 55.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.166 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -126.11 112.58 16.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.235 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -117.4 -24.94 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.276 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.92 141.9 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.0 111.23 -177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -63.06 127.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.184 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -155.06 171.7 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.183 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -78.28 -9.99 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.194 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -73.96 -20.45 60.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.161 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -94.55 154.03 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.0 111.132 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -50.86 145.07 25.13 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.718 1.612 . . . . 50.0 111.176 166.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.13 -44.81 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.21 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 38.5 p90 -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.226 -173.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -76.56 -33.57 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.149 169.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.89 -39.71 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.176 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.4 m-20 -52.73 -48.66 66.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.425 . . . . 50.0 111.145 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.57 -46.49 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.194 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.65 -38.2 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.228 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -75.64 -20.79 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.171 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' ASP . 73.8 t -63.05 120.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.205 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 124.74 19.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.154 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.09 -30.96 4.87 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 50.0 111.188 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.97 121.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 50.0 111.186 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -101.78 -50.07 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.253 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -145.15 134.84 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.156 -174.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -118.76 121.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.122 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -115.36 125.25 52.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.222 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' SER . 22.3 t-160 -116.48 120.21 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.242 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 58' ' ' MET . 11.2 p -147.16 140.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.206 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.423 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.7 mmm 58.03 -122.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.233 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.31 40.03 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -151.78 156.07 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.194 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.95 132.44 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 50.0 111.234 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 t -104.92 122.78 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.205 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -112.86 120.04 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.185 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -111.21 130.81 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.17 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -100.06 -179.96 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.207 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.19 160.59 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.24 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.01 -39.22 93.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.183 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.11 -41.71 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.169 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.56 166.11 21.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.253 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.6 160.0 30.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.173 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -72.51 -20.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.8 -40.09 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -85.77 -50.88 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.78 -49.71 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.215 -167.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 62.4 tp -63.96 -46.37 80.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.22 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.0 Cg_exo -49.82 -43.19 41.82 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.775 1.65 . . . . 50.0 111.173 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.69 -47.41 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.177 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.87 -49.48 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.206 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.67 -45.51 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.192 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.53 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.2 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 41' ' ' PHE . 47.0 t -59.42 -42.3 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.187 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -84.95 13.71 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.125 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -105.41 0.08 26.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.23 165.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.3 mt -68.65 -38.36 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 75.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 58.48 34.92 24.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.134 -172.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -104.98 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.0 111.223 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -52.86 134.41 37.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.132 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -60.47 158.86 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.238 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -85.02 174.89 9.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -121.3 174.47 6.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.203 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.146 -179.328 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.896 0.379 . . . . 75.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -127.92 141.84 51.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.245 -174.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 19' ' ' LEU . 96.1 mt -73.59 134.75 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.196 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -103.42 -47.89 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.246 170.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -161.51 130.21 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -105.01 130.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.164 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -136.96 161.66 35.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.202 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.62 169.49 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.212 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.5 p -127.84 167.25 19.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.196 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.9 Cg_exo -53.62 -32.28 63.82 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.773 1.648 . . . . 50.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -102.99 109.98 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.197 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -65.46 -15.55 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.185 -171.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.02 -27.44 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.236 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 t -122.62 149.87 43.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.227 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.7 ttm -127.11 143.96 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.257 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.52 129.91 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.175 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.08 108.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.189 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.1 m -81.55 122.29 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.173 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 3' ' ' ILE . 79.2 mt -114.2 159.84 19.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.135 -174.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p -79.99 -51.21 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.24 167.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -109.59 129.74 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 75.0 111.125 164.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -96.98 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.0 111.219 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -41.55 148.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 75.0 111.155 158.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -41.46 -58.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.19 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.43 157.31 38.26 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.217 -0.753 . . . . 75.0 111.217 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.7 mmt -105.78 14.94 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 50.0 111.212 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -85.09 171.05 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.0 111.221 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.1 p -80.0 145.49 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.16 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -166.5 158.16 13.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.237 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.6 m -125.69 130.07 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.093 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -128.97 143.47 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.136 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.4 p -124.82 -25.36 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.15 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.6 150.1 41.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.248 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.68 136.76 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.206 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.33 143.95 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.216 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.39 -23.7 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.151 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.8 p -69.92 -14.93 62.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.111 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -94.77 152.38 39.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.181 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.77 138.14 26.33 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.684 1.59 . . . . 50.0 111.254 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.81 -38.49 34.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.132 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -53.57 -53.51 50.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.187 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.49 -33.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.195 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.06 -46.8 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.215 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.07 -45.49 83.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.238 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.416 HG23 HG22 ' A' ' 78' ' ' VAL . 92.2 mt -59.57 -41.7 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.183 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.46 -38.94 75.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.17 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -76.74 -17.31 59.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.213 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.18 124.04 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.195 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.7 124.86 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.58 -29.9 7.57 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.284 -0.726 . . . . 50.0 111.284 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.99 126.49 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 50.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.99 -50.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -146.13 154.71 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.176 -174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.04 124.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.144 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -110.73 127.97 55.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.065 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -109.36 140.35 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.314 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.12 145.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.156 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 55.01 -105.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.18 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -141.71 33.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.275 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -145.32 164.94 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.227 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -113.4 134.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.227 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.7 t -107.67 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.192 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.54 117.58 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.198 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -105.36 119.72 39.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.227 -176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -99.69 -179.95 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.229 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.05 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.209 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.6 -40.44 91.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 50.0 111.122 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.84 -41.43 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.96 161.73 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.082 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -119.14 153.56 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.23 -21.29 63.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.256 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.03 -36.05 70.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.3 m -86.25 -50.42 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.136 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.04 -50.33 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -167.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 57.0 tp -63.83 -46.33 81.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.181 -161.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.3 Cg_exo -48.67 -44.15 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.759 1.639 . . . . 50.0 111.102 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 -45.96 62.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.182 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 HG23 ' A' ' 45' ' ' ILE . 69.9 t -60.68 -48.58 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.225 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.89 -42.5 72.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.143 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.93 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.187 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.1 -47.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.21 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -69.77 -16.92 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.236 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -87.27 -1.41 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.175 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.5 mt -82.49 144.65 30.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.158 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.97 3.39 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.195 173.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -85.13 68.42 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 75.0 111.165 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -75.04 125.18 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.0 111.222 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -135.09 68.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.154 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -155.31 135.82 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.223 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -158.38 167.09 30.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 75.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.172 179.205 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 98.5 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.77 0.319 . . . . 75.0 111.174 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -136.73 131.55 33.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.7 mt -72.71 135.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.197 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.64 -44.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.215 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -150.88 127.86 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.201 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.69 132.72 59.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.264 171.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -136.97 168.16 20.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.239 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.24 169.89 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.206 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 p -129.49 167.96 18.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.19 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.7 Cg_exo -53.81 -30.53 57.67 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.706 1.604 . . . . 50.0 111.252 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -100.18 110.02 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.186 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -67.28 -14.51 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 75.0 111.242 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.5 -23.08 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.219 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -125.44 149.87 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.171 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.5 mtp -125.7 158.63 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.241 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -105.89 125.65 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.172 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.76 111.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.247 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.9 m -99.37 125.08 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.221 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.33 169.86 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 50.0 111.134 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -83.01 -52.9 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.183 173.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 97.5 mt-10 -100.05 158.22 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.257 168.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -137.5 -163.98 1.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 75.0 111.168 -173.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -58.97 141.06 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.209 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -40.26 -49.48 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.216 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.9 125.38 8.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.207 -0.757 . . . . 75.0 111.207 166.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.3 mtt -97.67 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 50.0 111.203 -169.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p -90.45 165.88 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.249 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -76.48 120.89 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 50.0 111.277 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 33.7 m-20 -144.46 130.19 19.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.149 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.493 ' HG1' ' HD1' ' A' ' 55' ' ' PHE . 90.4 m -109.88 125.18 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 29' ' ' ASP . 96.8 m-85 -131.92 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.224 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.5 p -116.73 -26.74 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.222 170.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.64 160.18 20.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.149 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 46' ' ' LEU . 32.3 m -69.04 158.71 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.19 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -165.05 159.82 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.222 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -73.37 -19.86 60.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.233 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.2 p -75.37 -14.93 60.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.216 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.36 153.82 38.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.223 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.59 141.88 32.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.81 1.673 . . . . 50.0 111.137 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.14 -41.46 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.223 170.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -55.08 -50.06 70.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.131 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.27 -32.68 59.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.148 -174.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.0 -49.93 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.192 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.92 -46.65 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.113 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.418 HG23 HG22 ' A' ' 78' ' ' VAL . 84.6 mt -60.25 -43.8 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.149 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' A' ' 34' ' ' VAL . 71.1 mt -59.9 -36.71 77.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.328 -0.396 . . . . 50.0 111.197 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.36 -23.38 60.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.076 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.21 124.84 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.193 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.91 130.01 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.196 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.51 -30.53 6.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.244 -0.743 . . . . 50.0 111.244 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.95 125.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 50.0 111.116 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.11 -58.63 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.214 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 91.2 p -147.66 154.99 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -133.1 130.82 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.185 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HD1' ' HG1' ' A' ' 30' ' ' THR . 45.9 t80 -113.9 127.38 55.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.207 172.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -108.81 139.19 43.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.223 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -158.63 138.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.192 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp 55.18 -116.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.225 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -122.98 28.65 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.189 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 52.6 p90 -149.7 158.97 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.154 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.07 136.49 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.166 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -100.94 109.97 21.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.205 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.72 119.11 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.186 -175.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -111.86 119.98 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.143 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -98.73 165.39 11.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.252 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.09 155.33 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.267 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.53 -39.29 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.187 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.76 -40.78 75.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.252 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.41 147.12 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 50.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.76 148.38 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.203 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -69.91 -22.92 63.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.153 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -56.27 -37.37 69.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 75.0 111.271 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.36 -50.23 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.45 -50.55 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.114 -166.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.4 tp -62.53 -46.87 89.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 50.0 111.112 -163.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.9 Cg_exo -49.48 -44.43 34.9 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.665 1.577 . . . . 50.0 111.247 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.27 -46.3 64.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.26 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 45' ' ' ILE . 74.0 t -57.36 -51.5 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 50.0 111.292 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.12 -43.86 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.246 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.23 -41.76 76.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.226 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 45' ' ' ILE . 54.0 t -58.24 -49.01 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.174 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -63.05 -27.58 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.245 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.49 -1.03 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.0 111.145 -175.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.72 -36.52 84.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 75.0 111.179 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 54.86 37.72 29.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.236 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -110.5 -3.16 16.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.166 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -72.1 119.16 15.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.176 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -70.64 129.81 40.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.094 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -159.0 164.81 35.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.195 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -122.46 -18.62 6.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.225 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.187 -0.46 . . . . 75.0 111.173 -179.101 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 tpp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 75.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -153.5 117.87 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.242 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.48 147.68 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.19 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -105.02 -55.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.14 170.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -162.84 169.49 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 130.89 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.255 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.2 t -116.5 133.51 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.233 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.07 171.36 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.217 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.454 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.7 p -134.97 166.84 26.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.194 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 54.2 Cg_exo -54.9 -28.79 60.55 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.586 1.524 . . . . 50.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -96.7 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.236 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -50.19 -39.89 45.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.144 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.94 -22.64 67.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.152 -164.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -124.35 146.35 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.256 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.9 mtp -133.62 155.02 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -108.95 130.34 55.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.247 -174.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.08 125.75 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -93.56 130.09 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.3 mt -106.6 153.16 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.17 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.8 p -79.06 -16.32 56.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.151 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -70.56 148.56 48.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.171 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -80.09 159.96 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.124 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -77.54 -19.92 54.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.0 111.227 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -70.07 120.06 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.0 111.132 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.78 3.45 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.184 -0.767 . . . . 75.0 111.184 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.4 138.55 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 50.0 111.2 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p -116.29 164.99 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.194 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -78.96 158.16 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.234 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -167.01 158.76 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.172 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.4 m -118.53 130.1 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.92 107.13 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.214 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -115.08 -46.84 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.213 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.76 143.79 44.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.12 128.96 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.172 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.37 146.3 28.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.167 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.175 -175.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -69.09 -14.84 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.185 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -89.44 156.35 48.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.223 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.8 Cg_exo -54.91 145.52 61.89 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.706 1.604 . . . . 50.0 111.174 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.208 171.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -73.07 -7.73 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.26 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 39' ' ' PRO . 32.2 mm -89.27 -42.23 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.229 167.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.27 -45.41 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.241 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -54.69 -49.18 71.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.47 -42.85 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.256 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.85 -38.19 64.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.228 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.78 -20.34 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 50.0 111.114 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.68 124.76 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.196 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.57 127.7 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.324 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.48 -28.68 8.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.282 -0.727 . . . . 50.0 111.282 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.33 128.59 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 50.0 111.217 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.77 -57.03 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.226 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -158.67 155.51 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.225 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -124.49 139.83 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 50.0 111.176 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -126.65 131.21 51.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.151 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.41 140.61 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.157 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.04 135.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.229 172.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtt 54.4 -104.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.266 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -132.61 25.09 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.236 -167.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.75 161.04 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.187 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -122.46 133.65 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -103.94 114.43 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.8 129.13 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.137 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.09 146.05 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.174 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -120.76 170.06 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.251 -175.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -74.54 155.25 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.2 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.21 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.48 -40.45 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.267 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.12 154.83 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.172 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -120.07 149.89 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.261 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -70.06 -19.78 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.184 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.68 -39.19 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.181 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.2 m -86.39 -50.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.148 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.7 -49.07 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 50.0 111.32 -167.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 51.2 tp -63.03 -46.4 86.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 50.0 111.211 -162.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 81.3 Cg_exo -48.7 -43.25 34.77 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.762 1.642 . . . . 50.0 111.182 177.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.85 -44.41 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.229 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.38 -54.14 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.48 -45.38 76.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.252 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.38 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.152 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.55 -40.0 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.157 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.98 4.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.245 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.69 41.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.245 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.94 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 75.0 111.211 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 55.04 43.11 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.278 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -107.9 149.98 27.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 75.0 111.22 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.43 -21.8 57.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 75.0 111.131 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -102.4 177.08 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.229 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -167.27 164.21 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.262 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -77.26 143.37 38.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.159 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.235 173.155 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.85 0.357 . . . . 75.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.47 125.15 20.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.184 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.91 129.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.187 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -94.79 -45.03 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.181 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -162.35 139.8 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.143 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -111.26 115.25 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.192 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.8 p -113.86 165.42 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.122 -174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.42 169.74 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.276 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -130.65 168.27 17.74 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.207 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.4 Cg_exo -53.75 -30.15 55.31 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.652 1.568 . . . . 50.0 111.241 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -101.97 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.157 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -67.05 -14.55 63.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.0 111.189 -170.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.78 -20.52 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.197 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -126.3 147.83 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.188 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.2 mtp -126.7 158.91 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.18 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -108.59 123.02 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.279 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.45 109.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.222 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -88.81 126.84 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.14 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.36 153.3 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 50.0 111.171 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.5 p -73.07 -37.56 66.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.233 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -150.55 122.89 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 75.0 111.209 170.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t -90.48 -160.42 0.7 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.248 -0.433 . . . . 75.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -58.44 166.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 75.0 111.226 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -41.05 -53.59 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 75.0 111.231 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.94 133.7 12.02 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.231 -0.748 . . . . 75.0 111.231 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.3 mmt -104.26 8.34 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 50.0 111.283 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.8 p -74.31 163.77 27.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.0 111.187 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -75.51 149.75 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.194 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.16 159.18 25.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.209 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -121.28 128.62 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.241 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 83.2 m-85 -122.23 138.06 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.147 -177.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -125.1 -71.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.134 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.69 150.13 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.239 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.5 132.77 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -156.72 159.88 38.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.151 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -73.95 -31.43 63.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.304 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.4 p -65.21 -17.9 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -89.99 151.2 44.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.138 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.12 136.12 37.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.708 1.605 . . . . 50.0 111.207 170.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.63 64.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.232 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -66.69 -31.99 73.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.176 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.17 -38.54 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.194 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.53 -44.1 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.224 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.59 -47.45 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.143 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.98 -46.03 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.216 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.57 -36.35 78.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.13 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.15 -18.61 61.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.232 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.53 120.17 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.147 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.61 124.97 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.216 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.59 -20.85 17.6 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.198 -0.761 . . . . 50.0 111.198 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.13 125.55 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 50.0 111.108 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -95.18 -59.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 50.0 111.171 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.3 p -144.74 156.44 44.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 50.0 111.222 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 74.9 mt -127.23 136.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.236 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -121.22 121.79 38.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.271 167.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -115.32 114.28 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.199 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -141.6 138.7 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.17 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm 64.75 -121.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.225 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -126.21 39.87 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.248 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 50.3 p90 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.235 174.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mm -114.65 136.79 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.173 -175.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.5 t -102.89 107.3 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.189 168.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -104.82 118.09 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.159 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -110.74 123.69 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.156 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -97.35 179.95 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.286 -176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.53 158.75 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.26 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.92 -39.94 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.175 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.04 -40.55 75.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.214 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 158.64 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.169 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -124.22 151.39 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.141 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -70.3 -23.17 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.227 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -41.1 65.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.141 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.8 m -87.35 -50.96 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 50.0 111.194 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.36 -47.68 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.154 -167.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.595 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.1 tp -61.46 -52.93 66.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.244 -164.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 23.5 Cg_endo -62.47 -36.19 67.26 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 50.0 111.151 -176.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.47 -44.13 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 50.0 111.145 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.78 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.178 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.63 -40.92 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.161 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.38 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.308 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.39 -39.96 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -91.12 37.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.225 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -109.71 37.6 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 75.0 111.257 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.7 mt -84.79 124.63 31.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 75.0 111.236 -172.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.66 -50.15 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.157 172.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -95.78 138.29 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 75.0 111.249 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.04 136.67 45.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.0 111.191 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.81 128.84 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.252 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -93.27 81.94 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.195 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -148.0 129.88 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.206 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.172 -177.105 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 mtm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.792 0.329 . . . . 75.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.39 129.98 27.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.0 111.231 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 19.9 tt -65.95 149.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.169 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.28 -45.15 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.173 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -163.24 167.13 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.94 123.7 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.221 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -104.98 141.49 36.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.18 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -76.89 162.28 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.167 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 61.8 p -138.03 163.4 48.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.245 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 44.2 Cg_exo -55.9 -27.75 64.72 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.674 1.583 . . . . 50.0 111.197 174.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.64 156.44 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.149 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.52 -50.0 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.235 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -73.67 -14.4 61.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.281 -0.418 . . . . 50.0 111.156 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 t -133.74 140.59 47.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.228 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.6 mtp -127.63 173.4 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.277 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -106.6 129.95 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.185 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.88 127.53 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.172 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -95.26 129.79 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.262 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.04 155.12 44.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.169 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.6 p -83.22 -52.47 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.196 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -110.98 159.25 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.155 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 p -122.61 -167.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 75.0 111.221 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -58.23 173.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.207 162.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -39.61 -48.33 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.175 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 176.85 17.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 75.0 111.224 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' A' ' 59' ' ' ASP . 23.9 mmt -98.75 40.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 50.0 111.137 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p -85.01 164.91 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.0 111.153 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.48 160.3 17.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.24 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -165.64 154.89 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.221 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -119.33 129.3 54.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 -176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -124.51 104.99 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.204 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -119.42 -30.95 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.237 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -125.21 152.17 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.178 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.25 133.34 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.53 146.83 19.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.215 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.29 -31.14 71.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.232 -175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -70.12 -13.55 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.212 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -92.79 152.86 42.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HB2' HG12 ' A' ' 42' ' ' ILE . 53.7 Cg_exo -50.6 137.18 41.4 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.69 1.593 . . . . 50.0 111.097 174.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.15 -47.5 65.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.154 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -70.05 -25.34 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 75.0 111.297 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.4 mm -71.75 -34.05 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.196 171.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.92 -44.64 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.246 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.22 -50.05 74.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.24 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 78' ' ' VAL . 15.2 tt -63.74 -34.2 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.216 -174.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.26 -37.39 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.22 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.33 -22.03 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.34 122.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.248 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.86 128.27 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.23 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.45 -32.64 6.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.226 -0.75 . . . . 50.0 111.226 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.29 125.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 50.0 111.148 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -99.08 -52.25 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.178 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -145.7 139.85 26.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.242 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mm -117.75 126.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -123.4 126.68 47.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.309 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -99.9 124.72 45.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.235 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -133.85 131.29 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.21 172.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.3 ttm 54.59 -105.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.433 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 57.9 p-10 -130.41 24.4 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.134 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.98 165.1 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.167 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.14 127.31 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.19 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -91.98 125.58 36.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.203 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -113.85 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.191 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.71 127.04 53.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.191 176.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -97.25 -179.93 4.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 -174.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -84.98 156.86 20.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.206 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.8 -40.03 94.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.201 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.09 -41.56 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.173 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.22 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.204 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.47 156.62 31.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.306 173.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -66.89 -26.32 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.206 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.54 -36.07 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.0 111.227 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.5 m -81.93 -49.13 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.67 -49.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.179 -166.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 33.7 mt -60.59 -46.68 97.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.157 -164.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 95.5 Cg_exo -46.56 -44.65 20.89 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.772 1.648 . . . . 50.0 111.21 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.91 -44.21 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.204 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 45' ' ' ILE . 76.2 t -54.89 -50.62 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.219 176.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.85 -45.62 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.18 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 50.0 111.188 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.66 -38.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.202 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 11.1 m-30 -93.39 21.46 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.204 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -123.02 24.96 8.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.126 170.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.64 -39.88 64.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.208 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 56.7 32.88 21.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.151 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -115.66 4.09 14.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.26 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.99 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.184 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -53.76 -48.18 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 75.0 111.232 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -151.61 179.95 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.243 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -145.33 139.88 27.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 75.0 111.156 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.207 -178.276 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.836 0.351 . . . . 75.0 111.258 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -85.28 135.36 33.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.14 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 134.76 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.178 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -95.88 -46.17 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.257 171.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -162.16 138.95 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 50.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -102.58 115.17 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 50.0 111.117 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.1 t -100.02 148.37 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.161 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.94 168.95 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.192 170.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -135.01 159.62 71.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.17 -35.7 74.34 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 50.0 111.266 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -105.42 111.67 24.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.192 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -88.91 19.63 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 75.0 111.171 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.37 -6.56 59.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.157 165.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -142.66 146.06 34.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.278 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.4 mmm -114.74 153.26 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.128 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -109.31 123.89 50.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.249 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.07 112.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.199 -177.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -82.44 126.11 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.254 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.74 153.29 27.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.235 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p -82.67 -52.73 6.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.206 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -121.5 94.15 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.158 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 -163.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.0 111.234 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -47.39 139.39 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.182 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -44.24 -59.71 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.0 111.235 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.85 120.63 7.45 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.267 -0.733 . . . . 75.0 111.267 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 mmt -91.87 55.16 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 50.0 111.248 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.7 p -124.69 174.99 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.0 111.207 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 94.5 p -76.4 145.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.123 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -166.92 154.26 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.251 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -123.05 129.96 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.179 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -128.17 118.94 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 50.0 111.169 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -121.74 -30.47 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.158 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -110.59 129.35 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.25 -174.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -56.4 124.82 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.254 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -155.08 170.83 20.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.181 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -75.29 -10.82 59.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 91' ' ' HIS . 83.4 p -72.8 -20.57 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.224 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.72 152.38 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.167 173.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -50.0 145.79 18.52 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.768 1.645 . . . . 50.0 111.187 166.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.94 -44.33 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -74.49 -19.23 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.0 111.229 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.7 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.267 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.47 -38.49 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.194 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.1 m-20 -52.19 -48.6 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.27 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.17 -47.0 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.199 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.45 -38.15 73.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.215 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.96 -19.66 57.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.169 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' ASP . 66.1 t -60.13 121.4 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 175.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 111.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.173 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.26 -20.8 5.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.226 -0.749 . . . . 50.0 111.226 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.6 t -77.93 129.44 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 50.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.09 -56.07 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.208 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.3 p -150.45 154.7 38.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.262 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -119.51 118.07 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.195 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -115.23 131.33 56.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.263 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' SER . 52.0 t-80 -109.67 140.02 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.194 173.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 12.3 p -153.49 140.17 12.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.176 170.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 ttm 61.82 -105.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.157 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -141.14 31.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 53.1 p90 -144.9 165.1 29.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.23 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mm -110.32 133.43 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.152 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.6 t -105.17 109.93 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.235 166.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.39 120.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -112.28 126.83 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.18 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.26 179.91 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.39 160.73 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.261 171.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.28 -39.92 92.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.183 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.94 -40.22 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.19 156.17 10.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.152 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -120.34 147.54 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.263 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -70.48 -21.86 62.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.252 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.6 m -87.67 -50.7 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.222 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.45 -50.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.173 -164.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 49.4 tp -64.33 -45.37 78.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.169 -162.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.3 Cg_exo -50.14 -41.05 50.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.672 1.581 . . . . 50.0 111.27 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.18 -43.03 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.187 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.96 -48.28 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.238 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.63 -40.33 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.361 175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.9 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 50.0 111.181 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.13 -34.42 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.273 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.85 -26.15 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.174 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -97.62 25.9 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.209 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -86.98 -14.87 40.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.189 168.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 54.11 45.63 27.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 75.0 111.321 -177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -64.77 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.19 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -81.09 -22.66 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -129.44 167.08 18.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.269 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -152.67 175.14 13.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.179 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -116.81 156.97 26.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 75.0 111.17 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' SER . 87.1 m-70 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.773 0.321 . . . . 75.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -133.06 129.87 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.229 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.58 139.99 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.214 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.96 -54.87 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.215 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -158.53 167.86 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.138 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.99 116.27 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.243 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.7 p -108.03 163.34 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.15 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.78 168.63 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.257 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 p -134.46 164.98 40.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.138 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 53.2 Cg_exo -54.62 -31.81 72.11 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.606 . . . . 50.0 111.187 177.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -100.33 109.94 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 75.0 111.263 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -69.15 -9.86 54.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.18 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.12 -7.28 58.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.129 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 t -136.88 150.05 48.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.249 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -116.76 151.3 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.187 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -109.9 119.36 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.183 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.53 124.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.24 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -86.56 135.28 33.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.2 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.86 158.44 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.236 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -73.42 -23.05 60.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.273 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.16 159.94 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.222 -172.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -78.91 170.55 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -68.86 -17.73 64.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 75.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.34 120.02 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.79 -4.7 75.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.186 -0.766 . . . . 75.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.3 mmt -90.42 155.84 18.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 50.0 111.213 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.7 t -119.22 -163.1 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.217 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -138.63 152.12 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.165 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -164.61 156.73 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.156 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -118.68 130.06 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.252 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -121.75 104.29 9.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.155 -173.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -116.57 -30.13 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.159 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.01 165.87 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.192 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.28 124.01 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.175 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.92 160.12 41.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.187 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -73.86 -30.64 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.159 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.4 p -66.46 -14.87 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.255 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.02 153.92 47.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 75.0 111.233 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -52.26 136.13 54.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.789 1.659 . . . . 50.0 111.128 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.15 -45.13 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.165 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 75.0 111.22 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.5 mm -60.46 -38.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.235 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.76 -49.16 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.207 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.75 -47.85 83.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.119 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.79 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.173 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 mt -55.18 -40.3 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 50.0 111.215 173.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.36 -19.52 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.244 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.96 124.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.78 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.203 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.01 -26.4 15.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.189 -0.764 . . . . 50.0 111.189 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.43 129.19 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 50.0 111.135 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -93.93 -56.79 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.227 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -161.26 157.34 25.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.239 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.66 130.47 74.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.287 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.26 130.03 56.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.175 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -109.97 136.58 49.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.239 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.72 127.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.22 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.31 -118.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.211 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -113.26 22.22 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.151 -166.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -150.81 160.1 44.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.218 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.95 135.07 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.249 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 t -104.95 109.95 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.259 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.69 125.0 65.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.225 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.181 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.73 179.13 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.251 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -84.8 161.78 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 50.0 111.311 171.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.03 -39.77 95.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.192 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.38 -40.01 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.139 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.02 160.06 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.233 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.95 149.82 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.192 173.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -69.49 -26.93 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.239 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.44 -35.76 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.233 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -82.47 -49.59 9.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 50.0 111.124 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.12 -50.17 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.17 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 35.5 mt -61.4 -46.0 94.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.18 -163.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 76.5 Cg_exo -45.79 -44.28 18.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.751 1.634 . . . . 50.0 111.224 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.13 -45.3 61.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.6 -55.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.2 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -58.41 -38.76 78.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.222 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -41.47 73.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.186 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.38 -46.07 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.153 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -57.89 -30.09 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.268 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.4 1.17 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.247 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.31 -27.96 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.235 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 55.88 33.92 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.152 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -85.14 147.98 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.186 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -53.93 134.83 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.15 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -157.13 164.47 37.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.246 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -159.84 166.19 30.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.177 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.45 172.0 7.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.139 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.22 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 tpp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.794 0.331 . . . . 75.0 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -154.23 140.45 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 75.0 111.228 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 84.6 mt -97.12 139.75 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.099 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.8 mt -93.17 -52.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.251 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -157.93 157.29 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.25 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.7 123.84 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 50.0 111.249 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.0 p -118.11 168.28 10.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 50.0 111.134 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.24 169.41 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.249 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.9 p -130.24 160.0 67.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -33.74 81.97 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.742 1.628 . . . . 50.0 111.178 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -92.79 113.17 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.17 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 55.8 t-80 -70.03 156.91 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.186 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 77.2 m-20 80.38 12.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.153 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -146.72 141.11 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.259 166.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.5 mmm -115.5 152.92 32.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.134 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.35 119.81 40.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.197 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -108.27 117.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.223 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -85.11 128.56 34.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.242 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -100.78 156.11 17.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.196 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 m -77.73 -26.3 49.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.155 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.24 149.94 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.279 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.7 p -74.54 166.18 23.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 75.0 111.204 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -65.5 -24.14 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 75.0 111.254 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.59 131.88 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.279 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.11 -9.19 67.71 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.26 -0.736 . . . . 75.0 111.26 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.1 mmm -96.5 153.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 50.0 111.238 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.9 p -86.36 167.96 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.303 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -137.74 116.47 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.086 170.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -161.22 162.29 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.234 -166.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -115.36 130.63 56.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.191 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -118.58 119.54 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.194 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 p -119.29 -31.27 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.264 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.93 162.71 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.0 111.276 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.87 134.62 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.9 141.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.199 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.88 -30.04 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.194 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -71.04 -14.25 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.177 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -85.82 158.53 56.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.0 111.246 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.2 Cg_exo -54.88 146.67 55.4 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.595 1.53 . . . . 50.0 111.259 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.59 -51.26 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.231 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' HB3' HD12 ' A' ' 84' ' ' LEU . 1.7 p90 -70.02 -10.03 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.294 -174.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 39' ' ' PRO . 33.9 mm -86.42 -43.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.149 171.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.25 -44.04 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.299 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -55.21 -47.16 75.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.196 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.84 -44.92 75.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.148 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.24 -43.54 70.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.175 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -74.89 -12.27 60.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.212 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.49 124.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.168 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.81 128.75 38.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.221 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.71 -16.4 21.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.185 -0.766 . . . . 50.0 111.185 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.39 128.78 39.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.805 0.336 . . . . 50.0 111.172 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.96 -58.78 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.214 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -152.44 152.87 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.271 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.21 125.37 67.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 50.0 111.14 172.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -115.08 128.5 56.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.214 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -116.09 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.245 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -143.56 129.6 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.182 167.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm 54.93 -110.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.218 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -122.77 23.24 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 75.0 111.248 -164.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.78 155.18 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.17 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -123.39 133.76 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.199 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -101.58 112.24 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.71 121.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.266 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.83 130.34 56.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.162 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -101.03 179.88 4.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.273 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -84.38 162.41 20.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.271 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.76 -39.91 94.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 50.0 111.244 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.96 -40.1 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.198 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.71 157.61 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.247 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -125.01 151.7 45.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.225 174.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -70.34 -22.59 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.158 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.04 -40.04 63.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.137 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.6 m -87.2 -50.76 6.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.177 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.56 -50.03 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.196 -165.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 32.7 tp -65.1 -45.27 72.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.175 -161.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 89.1 Cg_exo -50.1 -42.77 45.15 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.643 1.562 . . . . 50.0 111.31 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.7 -45.98 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.211 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.31 -51.75 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.139 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.0 -47.24 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.68 -42.9 79.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.272 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.6 -39.55 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.202 -174.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -82.46 10.38 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.091 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -106.34 20.67 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 75.0 111.227 171.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 41' ' ' PHE . 50.1 mt -69.34 -30.8 68.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.214 175.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 59.22 35.88 23.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.203 -171.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -99.03 162.45 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.249 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -118.22 95.31 4.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.305 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.34 157.46 41.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 75.0 111.279 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -146.42 -178.93 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 75.0 111.161 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 21.5 t-160 -144.92 126.41 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.22 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.199 -1.589 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.229 179.17 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.851 0.358 . . . . 75.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 93.5 mt -76.53 133.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.2 mt -93.42 -48.75 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 50.0 111.326 167.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -164.98 155.21 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.198 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.34 120.35 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.205 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -114.61 169.57 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.128 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.01 169.29 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.185 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.5 p -132.41 165.56 35.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.231 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 74.3 Cg_exo -53.95 -31.29 62.72 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.703 1.602 . . . . 50.0 111.209 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -102.4 110.11 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.175 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -69.5 -11.94 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 75.0 111.171 -168.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.16 -11.52 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -132.96 146.43 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.142 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -113.31 154.12 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.193 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -106.24 120.15 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.135 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -106.92 112.41 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.169 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.2 m -86.88 124.61 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.181 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 3' ' ' ILE . 72.4 mt -113.52 149.74 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.149 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.174 168.165 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.759 0.314 . . . . 75.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -76.53 152.19 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.153 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -167.2 160.01 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -127.11 129.96 48.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.165 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 73.9 m-85 -125.5 129.62 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.276 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -122.68 -25.3 4.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.25 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.43 150.36 39.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.253 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.22 129.52 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.201 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -164.05 170.7 16.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.271 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.56 -19.55 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.269 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p -76.25 -15.16 60.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.161 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 19.8 mp0 -89.3 150.81 45.51 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.248 176.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -49.91 144.59 20.84 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.653 1.569 . . . . 50.0 111.167 167.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.06 -46.63 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.189 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -54.94 -47.39 74.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.15 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.82 -36.28 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.211 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.21 -48.56 72.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.171 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.71 -47.08 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.162 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.05 -43.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.25 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.57 -37.45 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.168 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -73.36 -23.26 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.246 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.82 123.98 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.161 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.56 125.14 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.224 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.33 -32.29 5.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.266 -0.734 . . . . 50.0 111.266 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.97 125.03 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 50.0 111.227 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -96.72 -56.85 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.225 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -148.47 154.07 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.1 mt -126.77 131.86 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.175 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -115.87 129.98 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.114 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -113.9 140.11 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.246 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.64 139.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.194 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttm 55.03 -106.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.0 111.224 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -136.3 33.29 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 75.0 111.126 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -150.54 156.51 41.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.53 134.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.255 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.0 t -101.43 111.3 23.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.133 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.48 115.19 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.184 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -110.38 132.98 53.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.124 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.602 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -119.53 169.81 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.16 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 154.96 36.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.165 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -57.74 -38.4 75.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.185 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.84 147.98 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.203 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -116.22 146.32 42.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 50.0 111.218 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -70.1 -24.84 63.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.149 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.04 -39.93 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.176 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.4 m -86.55 -50.42 6.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 50.0 111.228 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.88 -50.7 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.252 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 39.0 tp -64.6 -45.56 76.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.26 -162.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 86.6 Cg_exo -49.79 -42.94 42.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.683 1.589 . . . . 50.0 111.179 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.73 -45.08 76.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.11 -49.64 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.28 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -43.18 76.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.193 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.04 75.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.181 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.55 -50.96 46.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.127 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -65.17 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.233 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.0 111.143 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.787 0.327 . . . . 75.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.99 130.16 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.207 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.99 -42.59 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.172 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -161.25 137.43 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.16 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.54 112.89 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.19 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -100.07 153.46 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.13 -174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.52 166.2 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.163 169.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 30.1 p -134.79 164.77 41.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.17 -177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.7 Cg_exo -53.07 -33.51 63.67 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.776 1.651 . . . . 50.0 111.156 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -100.32 107.94 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.192 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -69.81 -10.06 57.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 75.0 111.224 -170.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.65 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -134.31 146.2 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.22 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.9 mmm -113.49 153.06 29.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.252 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.84 120.0 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.216 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.41 111.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.184 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.8 m -85.03 124.34 31.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.38 149.12 32.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 50.0 111.229 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.256 178.483 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.86 0.362 . . . . 75.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -64.93 143.63 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.173 -176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -157.78 152.03 24.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.239 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -117.11 128.76 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.221 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -125.04 105.27 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.191 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -118.14 -31.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.188 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.4 mttt -127.66 141.7 51.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.205 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.29 133.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.183 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -159.44 147.47 17.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.175 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.11 -29.99 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.202 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.8 p -69.98 -13.97 62.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 50.0 111.173 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 70.9 mt-30 -89.97 155.83 47.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.243 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.94 133.97 41.3 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.687 1.591 . . . . 50.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.91 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.246 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -55.43 -47.99 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 75.0 111.262 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mm -58.17 -39.8 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.241 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.29 -48.53 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.218 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.96 -47.04 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.173 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.65 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.178 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.45 -37.55 73.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.167 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.51 -22.97 59.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.05 122.83 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.2 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.81 126.3 27.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.147 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.68 -25.21 9.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.276 -0.729 . . . . 50.0 111.276 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.01 124.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 50.0 111.213 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -95.39 -59.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.2 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.8 p -149.96 148.9 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.199 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -124.96 139.99 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.206 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -126.26 122.61 36.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.194 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -101.97 129.06 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.162 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 128.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.243 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.2 mtp 59.63 -120.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.21 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -118.05 29.19 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.136 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -149.56 155.09 39.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.168 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -123.5 133.81 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.18 -172.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.6 t -100.24 112.32 24.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.405 . . . . 50.0 111.16 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.79 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.221 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.53 127.55 54.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -97.86 -179.95 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.235 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -84.46 159.97 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.246 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.66 -39.33 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.107 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.02 -40.3 75.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.115 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.68 158.77 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -123.55 147.6 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.124 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -70.07 -26.18 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.185 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.34 -34.9 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.176 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.0 m -82.7 -49.91 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.198 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.81 -50.27 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.253 -165.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 30.5 mt -61.75 -45.79 92.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.207 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 79.8 Cg_exo -46.62 -44.0 22.07 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.756 1.637 . . . . 50.0 111.157 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.7 -46.07 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -49.09 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.268 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.41 -44.11 72.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.95 77.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.242 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.5 -50.03 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.263 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -67.86 -30.68 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.282 -176.453 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 75.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.92 137.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.212 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 98.6 mt -96.09 -53.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.202 166.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -157.26 154.91 29.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.146 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.2 120.19 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.239 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -107.32 157.16 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.141 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.21 167.73 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.207 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 16.8 p -134.32 168.09 19.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.164 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.7 Cg_exo -54.06 -29.27 54.34 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.704 1.603 . . . . 50.0 111.131 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -98.5 110.04 22.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.174 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -51.48 -36.03 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.216 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -79.27 1.85 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.174 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -127.33 137.73 52.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.233 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.7 mmm -120.7 151.61 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.164 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -108.3 128.47 54.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.161 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -115.04 118.31 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.229 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.8 m -88.61 128.06 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.19 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.27 149.49 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.211 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.205 179.013 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.855 0.359 . . . . 75.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -74.98 149.19 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.193 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -159.28 155.72 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.288 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -121.27 131.22 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.156 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -127.37 110.99 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.206 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.2 p -120.74 -33.11 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.227 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.2 mttt -122.87 139.71 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.233 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -59.75 133.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.239 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -159.97 159.88 32.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.153 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -74.83 -22.41 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.166 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.1 p -69.49 -15.05 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.193 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 51.1 mt-30 -99.56 151.83 37.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.221 -175.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.08 138.85 35.46 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.558 . . . . 50.0 111.235 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.73 -45.1 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.231 173.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -55.06 -46.97 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.194 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.83 -38.08 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.184 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.1 -48.89 72.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.176 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -56.36 -47.13 79.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 HG22 ' A' ' 78' ' ' VAL . 93.6 mt -61.85 -44.13 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.174 -177.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -57.64 -36.99 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.27 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.88 -23.94 60.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.154 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.9 120.49 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.228 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.63 125.87 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.157 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -26.38 8.01 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.231 -0.747 . . . . 50.0 111.231 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.73 127.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 50.0 111.181 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.62 -58.86 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.258 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.4 p -154.46 157.82 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.177 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.82 139.42 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.232 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -127.76 129.98 47.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -119.35 120.9 38.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 p -138.97 140.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.179 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.5 mmm 49.0 -129.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.143 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -109.93 31.34 5.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.181 -170.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -148.31 154.71 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.156 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.1 mt -123.89 134.73 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.218 -176.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -99.29 115.51 29.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.212 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.29 123.34 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.171 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.28 145.57 49.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.253 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -105.96 179.96 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.206 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.31 160.4 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.219 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.81 -38.63 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.196 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.03 -40.57 78.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.224 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.83 160.24 20.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.257 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.66 151.26 48.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.204 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -69.99 -24.58 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.178 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.95 -40.42 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 75.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -86.59 -50.28 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 50.0 111.247 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.48 -49.53 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.196 -166.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 48.0 tp -63.38 -45.7 84.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 50.0 111.248 -162.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.7 Cg_exo -49.97 -42.67 44.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.741 1.627 . . . . 50.0 111.184 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.2 -45.5 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 45' ' ' ILE . 70.8 t -56.51 -49.3 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.211 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.26 -43.26 74.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.252 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.93 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.157 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -55.37 -49.75 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.167 -172.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.63 -21.45 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.107 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.21 -175.492 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 pttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.934 0.397 . . . . 75.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.91 131.65 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.262 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.21 -44.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.192 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -162.65 139.85 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.298 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.6 mt -110.44 129.95 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.185 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -117.9 156.38 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.159 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.14 166.99 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.216 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.8 p -132.64 167.29 23.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.214 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.8 Cg_exo -53.97 -31.74 65.02 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.762 1.641 . . . . 50.0 111.152 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -96.24 109.89 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.0 111.279 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -70.21 -10.02 57.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.159 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -88.49 1.16 55.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 50.0 111.274 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -141.32 142.22 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.255 174.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.4 mtp -126.05 153.0 45.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.224 -175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.69 127.2 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.179 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.56 103.04 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.231 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -78.96 123.16 27.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.209 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.79 158.97 17.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.273 -174.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.161 175.294 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 75.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -73.36 154.83 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.201 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.75 157.87 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.184 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.3 m -120.04 126.92 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.157 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 58.8 m-85 -125.33 104.9 8.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.227 -177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.1 p -121.84 -24.93 5.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.35 156.33 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.239 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.22 123.86 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.227 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -162.41 178.97 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.125 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.214 -172.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -72.97 -18.32 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.261 -171.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.606 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 13.9 mp0 -81.63 142.29 49.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.192 174.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.4 136.13 39.84 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.723 1.615 . . . . 50.0 111.245 172.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -43.34 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.248 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -57.63 -47.26 82.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.198 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.95 -35.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.205 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.84 -49.91 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.151 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.38 -47.86 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.183 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.55 -44.84 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.237 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.54 -37.9 73.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.159 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.51 -21.58 59.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.207 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.31 122.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.138 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.62 124.98 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.16 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -24.67 8.9 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 50.0 111.157 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.69 125.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 50.0 111.169 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.0 -58.38 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.143 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.2 p -150.69 151.79 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.221 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.9 mt -123.28 136.28 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.172 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -120.94 129.31 53.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.25 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.22 139.89 43.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.262 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.35 147.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.172 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.2 mmm 51.99 -131.52 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.187 -171.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -114.09 45.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 75.0 111.192 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -153.6 162.83 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.272 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.28 135.15 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 50.0 111.159 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -105.9 115.88 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.229 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -107.87 124.26 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.192 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -116.18 124.67 50.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.216 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -95.66 178.67 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.254 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.12 160.61 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.247 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.08 -39.19 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.96 -40.12 75.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.287 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 158.3 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.235 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.48 153.76 43.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 50.0 111.289 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -72.14 -20.6 61.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.234 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.75 -40.1 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.226 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -87.68 -51.23 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.18 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.53 -47.66 79.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.12 -167.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.4 tp -60.54 -52.96 69.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.249 -164.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.1 Cg_endo -61.98 -34.44 80.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.683 1.589 . . . . 50.0 111.163 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.33 -43.23 82.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.151 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.39 -45.13 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.121 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.72 -43.07 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.229 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.42 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.175 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.1 t -55.86 -49.47 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.233 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -74.99 -14.79 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.114 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.18 -179.458 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.82 0.343 . . . . 75.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 18.0 tt -69.89 147.27 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.218 -172.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -54.32 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.19 173.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -161.7 164.64 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.7 mt -123.01 121.69 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.165 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -109.27 164.9 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.175 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -89.98 168.76 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.249 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.8 p -134.57 166.32 30.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.245 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.8 Cg_exo -53.71 -32.61 66.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.691 1.594 . . . . 50.0 111.196 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -101.4 109.94 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 75.0 111.204 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -69.92 -10.8 59.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.237 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -78.14 -8.71 58.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.216 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -135.01 147.14 49.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.226 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mmm -118.59 154.98 31.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.185 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -106.24 127.15 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.141 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.42 123.78 69.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.159 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -99.83 121.8 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.255 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -110.42 150.25 29.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.203 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.146 171.046 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.829 0.347 . . . . 75.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -74.19 148.47 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.102 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.57 159.71 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 50.0 111.17 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -119.08 131.26 55.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.187 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -127.89 120.87 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.189 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.7 p -119.94 -40.48 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.181 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.88 153.85 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.264 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.49 133.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.264 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -156.46 159.96 39.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.262 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.93 -38.21 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.174 -173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -66.62 -19.24 65.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.204 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -85.82 149.97 52.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.241 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -50.45 131.15 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.723 1.615 . . . . 50.0 111.232 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.32 -37.62 48.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.186 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.238 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.45 -39.91 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 50.0 111.222 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.77 -43.07 94.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.252 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.21 -49.9 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 50.0 111.221 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.23 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.212 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.93 -37.29 71.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.159 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -72.81 -26.06 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.218 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.26 123.04 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.19 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.45 125.76 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.188 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.4 -25.69 8.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.175 -0.77 . . . . 50.0 111.175 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.76 124.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 50.0 111.223 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.97 -59.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.199 -175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -145.11 152.27 39.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.22 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.9 mt -128.22 135.84 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.203 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -118.71 127.94 54.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.158 169.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -119.86 117.64 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.234 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.91 139.99 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.19 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm 64.79 -124.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 75.0 111.214 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -121.19 30.94 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 75.0 111.182 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.64 155.14 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.173 175.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -125.65 134.96 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.213 -173.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 t -103.24 115.21 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.195 173.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.17 117.76 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.221 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.28 127.72 54.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.218 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -98.38 179.94 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.27 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.53 160.03 20.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.283 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.06 -39.41 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.127 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.92 -39.98 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.196 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.31 159.47 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 50.0 111.218 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -125.99 147.15 49.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.264 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -69.96 -25.14 63.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.272 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.55 -38.64 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.0 111.212 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -81.41 -50.03 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.233 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.83 -51.28 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.213 -164.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 34.7 mt -62.79 -45.43 87.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.196 -162.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 84.3 Cg_exo -46.89 -44.24 22.84 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.676 1.584 . . . . 50.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.62 -44.03 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.233 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.04 -51.35 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.212 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.7 -42.09 74.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.245 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.83 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.234 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -51.86 -47.89 39.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.164 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 67.1 m-85 -80.03 -30.54 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.202 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 75.0 111.316 -178.613 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 75.0 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.34 131.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.187 -166.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -99.44 -47.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.156 166.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -163.28 137.31 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.207 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.8 mt -110.58 133.08 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.223 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.4 p -138.92 160.83 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.118 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.49 169.63 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.129 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 43.1 p -124.81 164.54 30.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.159 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 52.3 Cg_exo -55.25 -29.57 67.64 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.716 1.611 . . . . 50.0 111.215 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.28 140.52 30.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.213 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 48.3 t-80 -88.03 154.54 20.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.622 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 92.9 m-20 76.71 13.31 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.207 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 t -148.65 137.74 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.165 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mtp -130.11 158.65 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.199 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -112.29 128.69 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.206 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.9 122.95 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.22 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.4 m -91.66 123.09 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.221 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -115.04 154.81 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.237 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.251 178.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.827 0.346 . . . . 75.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.7 p -74.15 150.82 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.165 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -162.02 157.41 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.234 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m -119.18 135.25 54.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.254 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -122.79 109.24 13.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.172 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.8 p -118.74 -29.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.215 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.23 164.21 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 75.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -86.67 125.54 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.215 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -144.86 160.0 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.128 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -72.12 -31.35 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.216 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -66.49 -15.61 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.257 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -90.11 150.18 42.88 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.165 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.96 137.91 52.54 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.647 1.565 . . . . 50.0 111.175 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.13 54.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.223 171.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -53.69 -45.91 70.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.208 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.21 -40.25 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.225 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.36 -48.31 76.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.216 -173.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.04 -48.15 76.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 50.0 111.247 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.89 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.16 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 mt -54.1 -40.19 67.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.16 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.65 -18.43 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.211 -175.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.82 123.88 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.212 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.24 129.65 42.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.174 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.96 -25.27 11.73 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.191 -0.764 . . . . 50.0 111.191 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.8 t -75.0 125.76 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 50.0 111.168 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.81 -55.99 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.22 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -159.83 157.27 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -124.92 134.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.22 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -120.28 130.02 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.417 . . . . 50.0 111.212 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -112.73 140.23 47.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -161.01 144.75 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.309 170.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm 59.18 -125.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.247 -172.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -121.54 41.59 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.216 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.29 164.93 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -123.82 137.76 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.227 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.5 t -110.34 115.8 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.16 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.69 131.23 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.176 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -123.48 144.98 49.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.155 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -112.19 177.93 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.26 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.69 159.99 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 173.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.27 -39.61 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.202 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.03 -40.52 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.174 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.98 158.51 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.192 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -126.28 154.82 42.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.203 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.99 -21.85 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 50.0 111.215 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.75 -36.83 70.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.5 -50.49 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.238 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.56 -50.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 -166.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 63.1 tp -64.25 -46.12 78.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.141 -162.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.3 Cg_exo -49.54 -42.29 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.781 1.654 . . . . 50.0 111.152 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.87 -43.3 72.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -53.04 -51.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.218 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -53.49 -46.52 70.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.158 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.64 72.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.12 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.7 -48.32 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.135 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.86 -27.35 68.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.205 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.22 -177.447 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.771 0.319 . . . . 75.0 111.24 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -69.85 148.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.25 -174.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.67 -54.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.286 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -165.13 152.37 10.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.212 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.0 mt -113.38 123.59 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.237 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -110.32 163.02 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 50.0 111.227 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -91.99 167.71 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.241 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -133.27 168.01 20.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.168 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 71.0 Cg_exo -54.09 -32.05 67.65 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.731 1.621 . . . . 50.0 111.228 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -102.8 110.1 21.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 75.0 111.173 172.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -67.53 -15.37 63.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.198 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -69.88 -21.24 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.155 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -125.32 150.03 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.207 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.42 158.86 38.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.24 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -105.59 127.56 53.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.184 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.16 114.48 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.179 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.4 m -89.58 123.72 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.266 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.11 154.62 28.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.131 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.132 171.081 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 75.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -68.76 149.96 48.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.215 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -161.73 159.89 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.187 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -121.29 130.11 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.411 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 93.7 m-85 -124.94 111.53 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 50.0 111.228 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.5 p -121.23 -33.33 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.196 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.54 146.32 49.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.225 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.48 135.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.201 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -158.05 146.57 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.26 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -32.44 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.158 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -69.98 -15.03 62.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -90.59 153.9 45.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.254 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.13 128.0 21.23 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.77 1.647 . . . . 50.0 111.183 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.61 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.264 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -55.12 -49.56 71.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.224 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.84 -33.33 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.24 -45.35 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.268 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.52 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.228 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 94.1 mt -59.98 -42.83 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.83 -38.36 72.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.193 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.8 -21.37 59.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.239 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.51 121.64 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.131 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.9 125.15 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.146 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -24.13 8.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.163 -0.775 . . . . 50.0 111.163 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.92 125.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 50.0 111.252 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.98 -57.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.19 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.5 p -146.5 152.37 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.238 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 87.7 mt -125.81 135.99 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.219 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -122.98 127.45 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.155 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -101.19 126.06 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.227 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.7 p -143.68 134.03 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.28 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.1 ttm 62.68 -124.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.18 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -120.56 31.09 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 49.0 p90 -142.07 161.84 36.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.202 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 mm -117.13 132.22 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.233 -170.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -106.3 114.01 27.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.243 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.92 124.94 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.24 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -111.02 126.82 55.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.174 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.92 179.71 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.274 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.25 160.37 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.238 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -40.56 97.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 50.0 111.213 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.97 -40.51 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.239 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.42 159.62 12.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.153 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.82 153.8 46.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -71.04 -19.93 62.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.156 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.1 -37.5 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 111.202 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.8 m -87.23 -50.98 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.229 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.83 -46.78 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.186 -168.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 9.1 tt -58.58 -52.87 71.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.212 -165.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.2 Cg_endo -60.98 -35.58 87.05 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.757 1.638 . . . . 50.0 111.179 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.2 -44.37 79.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.137 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 61.0 t -61.51 -44.7 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.13 -42.11 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.145 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.36 79.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.187 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.2 -47.18 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -79.03 -33.51 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.193 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.234 178.512 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.782 0.325 . . . . 75.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.13 132.2 32.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.161 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.0 mt -104.99 -48.58 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.215 164.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -163.62 135.04 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.141 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -111.64 133.12 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.245 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.8 p -133.58 164.28 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.223 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.81 168.37 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.209 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 21.8 p -128.17 168.95 13.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.147 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 73.9 Cg_exo -53.86 -29.12 51.65 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.683 1.589 . . . . 50.0 111.247 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -93.37 111.56 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.117 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -51.71 -37.51 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.192 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.79 -11.4 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.157 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -120.43 138.22 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.218 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mtp -129.8 155.09 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.2 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -108.59 131.07 55.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.18 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -116.04 115.48 49.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.199 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -90.02 122.67 33.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.223 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.62 155.45 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.204 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.258 172.889 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.77 0.319 . . . . 75.0 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 91.5 p -80.09 144.96 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 50.0 111.158 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -167.23 156.53 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.179 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.9 m -120.84 127.11 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.17 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.97 144.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.143 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.5 p -123.18 -25.14 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.23 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.93 154.64 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.175 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -65.59 139.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -158.24 157.51 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.297 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -76.54 -13.28 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.195 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.2 p -74.62 -14.4 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.169 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.96 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.18 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.19 144.97 21.49 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.698 1.598 . . . . 50.0 111.175 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.1 -39.1 55.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.165 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.51 -36.41 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.169 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mm -80.49 -40.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.166 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -65.56 -46.28 80.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.213 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.79 -47.12 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.155 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.31 -44.56 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.269 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 54' ' ' ILE . 80.9 mt -56.9 -37.92 72.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.14 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.76 -21.38 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.265 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.82 123.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.202 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.18 125.86 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 50.0 111.228 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -27.64 7.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.306 -0.717 . . . . 50.0 111.306 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.34 128.6 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 50.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.52 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.235 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -154.67 157.61 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.113 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.4 HD12 ' HG ' ' A' ' 46' ' ' LEU . 76.2 mt -128.87 128.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.228 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.21 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.9 t-80 -111.56 134.66 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.175 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -153.99 131.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.236 172.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm 61.64 -124.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.205 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -117.42 34.31 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 51.7 p90 -149.96 155.46 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 175.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.71 137.79 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.234 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -105.0 110.42 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.149 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.19 127.7 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.247 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -127.22 145.8 50.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.147 -175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -110.04 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.224 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.49 165.5 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.245 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.48 -40.13 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.163 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.75 -40.22 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 158.12 21.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.158 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.37 151.73 47.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -70.09 -23.4 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.267 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -40.2 64.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 75.0 111.174 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.7 m -85.97 -50.43 7.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.239 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.82 -49.57 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.178 -166.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.6 tp -62.72 -47.26 88.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.191 -163.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.5 Cg_exo -48.86 -44.03 33.22 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.738 1.625 . . . . 50.0 111.247 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -42.51 77.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.134 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -53.57 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.243 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.78 -40.64 76.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.316 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.7 -41.24 77.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 50.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.2 -44.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.15 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -76.93 -35.14 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.201 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.228 -175.215 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.773 0.32 . . . . 75.0 111.214 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' HG3' ' A' ' 79' ' ' GLU . 17.4 tt -63.32 143.07 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.222 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.6 mt -105.54 -53.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.202 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -160.34 165.78 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.19 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.88 124.71 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.219 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.8 p -112.99 160.8 17.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.36 168.67 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.228 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.453 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.1 p -133.37 166.91 25.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.287 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.8 Cg_exo -54.85 -30.86 70.15 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 121.761 1.641 . . . . 50.0 111.223 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -101.83 110.3 22.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.287 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -67.82 -14.28 62.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.216 -171.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.32 -20.39 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 t -131.86 149.96 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.222 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.2 mtp -126.33 160.29 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.153 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -107.44 127.58 53.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.175 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.3 mt -116.62 121.25 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.21 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.9 m -95.13 127.03 40.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.172 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -113.48 155.98 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.224 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.22 175.317 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 75.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -70.1 154.59 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.13 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -162.87 154.68 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.263 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -119.97 128.68 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.173 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -123.93 105.05 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.232 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.1 p -119.11 -42.74 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.119 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.43 139.72 50.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.226 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.93 123.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -137.53 161.07 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.27 -30.34 64.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.209 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.5 p -65.62 -17.83 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.152 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -89.99 149.31 41.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 75.0 111.189 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.7 Cg_exo -51.47 135.54 47.53 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.705 1.603 . . . . 50.0 111.238 174.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.83 -44.78 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.188 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 81' ' ' VAL . 43.5 p90 -71.94 -24.63 61.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.207 -176.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 39' ' ' PRO . 30.9 mm -71.78 -34.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.153 169.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.22 -42.29 99.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.231 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.91 -48.69 72.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.211 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.32 -45.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.16 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.99 -37.58 77.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.2 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.96 -18.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.171 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.01 125.03 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.107 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 126.41 27.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 50.0 111.278 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.55 -22.4 24.33 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.222 -0.751 . . . . 50.0 111.222 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.4 t -76.34 125.04 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 50.0 111.197 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -99.67 -51.56 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.222 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -146.85 132.74 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.186 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -113.16 117.97 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -113.62 126.81 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.171 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.0 136.3 40.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.166 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.22 131.43 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.197 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 54.51 -105.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 75.0 111.219 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -135.76 32.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.247 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -149.98 159.09 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.124 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.05 136.04 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.228 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -100.55 111.79 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.062 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.4 t -104.55 115.08 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.203 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -111.45 122.84 48.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.214 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -99.95 -179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.06 144.94 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.213 167.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.55 -35.41 80.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.188 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.48 -40.99 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.212 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 167.99 6.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -123.94 152.39 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.192 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -70.61 -23.07 62.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.19 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.43 -39.89 64.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.235 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.23 -50.41 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.157 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.99 -50.11 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.145 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 29.7 tp -64.54 -45.49 76.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 50.0 111.145 -161.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.0 Cg_exo -51.02 -43.86 45.52 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.821 1.681 . . . . 50.0 111.17 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.05 -48.01 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.238 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.89 -45.07 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.191 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HD13 ' A' ' 3' ' ' ILE . 86.9 tt0 -54.4 -44.2 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.275 176.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.0 -38.11 67.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.135 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 41' ' ' PHE . 74.2 t -61.53 -39.27 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.292 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -79.7 4.3 16.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.194 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.274 171.316 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.738 0.304 . . . . 75.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 tt -92.17 149.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.245 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -102.73 -55.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 50.0 111.196 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -169.0 165.47 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.174 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.51 126.25 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.23 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.7 t -121.75 133.94 54.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.214 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -63.78 160.17 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.228 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 36.9 p -125.53 165.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.202 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 50.2 Cg_exo -56.74 -25.0 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.602 1.534 . . . . 50.0 111.113 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -82.07 108.93 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.163 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.506 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 17.8 t-160 -59.47 136.84 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.206 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 74.1 m-20 77.81 12.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.139 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -135.34 136.21 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.301 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 91.2 mtp -129.96 155.07 46.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.234 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -106.7 130.36 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.124 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -106.56 121.23 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.186 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.0 m -100.38 120.09 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.165 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -108.3 139.22 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.193 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.239 167.251 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.777 0.322 . . . . 75.0 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -78.45 128.77 34.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.132 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -143.18 153.43 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.187 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -114.16 129.88 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.202 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -122.76 110.49 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.4 p -121.11 -26.6 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 50.0 111.165 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 89.1 tttt -135.07 130.12 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.172 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.55 132.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.089 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -159.82 148.15 17.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.211 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.97 -29.86 70.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.101 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -69.94 -13.96 62.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.146 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 66.1 mt-30 -90.06 154.62 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.0 111.178 -178.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -48.38 132.68 24.6 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.736 1.624 . . . . 50.0 111.085 171.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.65 -42.19 61.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.22 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -54.7 -50.04 69.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.201 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mm -57.83 -39.49 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.04 -49.01 74.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 50.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.48 -46.04 80.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.245 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 96.0 mt -62.08 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.97 -36.95 75.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.22 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -72.73 -21.25 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.098 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.98 119.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.216 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.87 124.81 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.167 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.11 -28.65 6.52 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 50.0 111.207 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.06 126.82 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 50.0 111.193 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.0 -59.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.183 -174.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -151.97 151.56 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.178 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -125.69 139.57 50.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.264 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -124.72 122.48 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.304 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -115.29 112.01 21.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.286 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -133.35 135.03 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.172 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.7 mtp 57.25 -123.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.263 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -115.84 27.52 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.0 111.194 -172.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 54.5 p90 -147.35 155.21 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.116 177.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -125.96 129.86 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.201 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 t -100.34 119.67 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.151 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.5 t -118.12 127.83 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.215 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.72 146.8 50.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.215 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.02 179.78 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.261 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.62 162.94 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.215 172.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.64 -39.35 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.18 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.25 -40.26 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.256 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.32 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.29 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.6 152.74 47.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.263 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -69.97 -21.22 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.232 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -37.77 70.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.15 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.21 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.62 -50.01 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 50.0 111.244 -167.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.5 tp -62.82 -47.05 88.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 50.0 111.229 -162.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.6 Cg_exo -48.81 -44.01 33.03 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.632 1.555 . . . . 50.0 111.18 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.11 -44.51 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.142 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 71.2 t -56.12 -50.67 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.212 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.69 -42.78 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.244 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.96 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.134 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.91 -45.55 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.294 -176.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.75 -13.53 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.249 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.193 179.036 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.761 0.315 . . . . 75.0 111.167 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.05 129.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.178 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.1 mt -100.79 -45.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.194 164.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -162.19 130.36 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.191 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -108.42 125.27 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.3 p -133.29 171.94 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.164 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.58 169.84 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.151 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 31.8 p -128.09 166.42 24.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.107 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 60.5 Cg_exo -55.12 -29.39 65.61 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.662 1.575 . . . . 50.0 111.25 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -97.65 139.11 34.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.208 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.578 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 51.2 t-80 -85.71 157.27 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.198 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 85.3 m-20 73.78 13.63 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 t -149.85 138.8 21.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.29 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mtp -129.7 159.71 35.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.186 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -108.83 130.62 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.182 -174.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.63 104.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.254 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.1 m -78.6 125.63 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.15 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -113.59 153.7 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.115 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.226 176.203 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 75.0 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -73.9 153.38 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 -176.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -163.72 154.64 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.132 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.6 m -117.54 127.1 53.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.229 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 61.1 m-85 -124.95 105.96 9.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.184 -176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.9 p -120.74 -22.98 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.165 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.58 155.07 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.0 111.249 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -92.11 125.06 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.252 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -169.59 174.98 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.172 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.83 -30.99 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.247 -173.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -72.89 -14.64 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.151 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 15.5 mp0 -89.88 145.58 33.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.253 173.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.44 137.18 48.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.729 1.619 . . . . 50.0 111.167 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.26 -54.9 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.184 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -53.6 -45.69 70.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.197 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mm -57.56 -39.25 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.241 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.31 -46.16 89.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.15 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.85 -48.32 78.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.161 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.55 -41.14 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.217 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.29 -39.0 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.138 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.11 -19.56 58.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.163 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.42 123.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.176 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.19 125.05 22.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.32 -26.9 9.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 50.0 111.182 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -74.1 125.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 50.0 111.091 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.01 -57.72 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.248 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -148.21 154.0 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.132 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.03 138.52 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.278 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -124.73 127.68 47.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.228 172.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -106.51 141.59 37.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.215 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 58' ' ' MET . 8.2 p -161.94 145.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.222 172.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.5 mmm 59.15 -123.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.249 -175.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.37 42.38 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.253 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.84 163.02 40.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.294 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.9 mt -117.13 134.77 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.264 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -104.92 120.25 40.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.215 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.91 122.35 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.214 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -112.14 122.11 46.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.178 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -98.96 179.94 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.182 -175.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.4 153.5 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.254 170.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.86 -37.07 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 50.0 111.206 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.38 -40.45 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.199 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.83 158.49 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.245 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.39 149.92 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.226 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.164 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.05 -34.91 70.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.131 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -81.96 -49.93 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.158 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.1 -50.3 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.133 -167.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 36.5 mt -62.02 -46.4 91.75 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.173 -161.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 94.1 Cg_exo -47.59 -45.81 22.43 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.759 1.639 . . . . 50.0 111.206 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.61 -46.06 60.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.216 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.61 -45.38 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.242 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.6 -43.75 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.205 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.63 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.168 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.63 -47.43 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.166 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -81.66 -38.62 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.244 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.206 -174.09 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.821 0.343 . . . . 75.0 111.155 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.0 147.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.223 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 99.3 mt -105.03 -54.99 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.172 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -164.93 162.3 20.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.23 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.61 124.34 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 50.0 111.169 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -109.45 162.88 13.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.221 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.77 168.59 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.231 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 17.8 p -133.35 167.52 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.4 Cg_exo -54.12 -31.6 65.88 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.662 1.575 . . . . 50.0 111.266 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -100.69 110.1 22.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.194 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -69.68 -11.37 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.13 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.21 -17.59 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.5 t -132.48 146.92 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.219 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.57 155.32 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.221 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -105.81 126.73 52.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.143 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.3 mt -108.76 119.92 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.216 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.3 m -95.62 123.2 39.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -110.68 152.55 26.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.214 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.196 170.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.752 0.31 . . . . 75.0 111.206 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 86.3 p -74.61 147.26 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.165 -176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -164.64 154.98 14.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.164 170.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -119.18 130.03 55.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.166 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -126.11 112.58 16.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.235 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -117.4 -24.94 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.276 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.92 141.9 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.0 111.23 -177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -63.06 127.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.184 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -155.06 171.7 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.183 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -78.28 -9.99 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.194 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -73.96 -20.45 60.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.161 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -94.55 154.03 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.0 111.132 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -50.86 145.07 25.13 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.718 1.612 . . . . 50.0 111.176 166.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.13 -44.81 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.21 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 38.5 p90 -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.226 -173.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -76.56 -33.57 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.149 169.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.89 -39.71 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.176 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.4 m-20 -52.73 -48.66 66.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.425 . . . . 50.0 111.145 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.57 -46.49 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.194 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.65 -38.2 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.228 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -75.64 -20.79 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.171 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' ASP . 73.8 t -63.05 120.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.205 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 124.74 19.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.154 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.09 -30.96 4.87 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 50.0 111.188 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.97 121.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 50.0 111.186 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -101.78 -50.07 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.253 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -145.15 134.84 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.156 -174.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -118.76 121.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.122 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -115.36 125.25 52.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.222 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' SER . 22.3 t-160 -116.48 120.21 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.242 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 58' ' ' MET . 11.2 p -147.16 140.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.206 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.423 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.7 mmm 58.03 -122.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.233 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.31 40.03 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -151.78 156.07 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.194 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.95 132.44 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 50.0 111.234 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 t -104.92 122.78 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.205 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -112.86 120.04 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.185 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -111.21 130.81 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.17 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -100.06 -179.96 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.207 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.19 160.59 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.24 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.01 -39.22 93.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.183 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.11 -41.71 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.169 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.56 166.11 21.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.253 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.6 160.0 30.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.173 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -72.51 -20.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.8 -40.09 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -85.77 -50.88 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.78 -49.71 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.215 -167.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 62.4 tp -63.96 -46.37 80.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.22 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.0 Cg_exo -49.82 -43.19 41.82 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.775 1.65 . . . . 50.0 111.173 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.69 -47.41 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.177 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.87 -49.48 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.206 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.67 -45.51 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.192 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.53 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.2 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 41' ' ' PHE . 47.0 t -59.42 -42.3 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.187 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -84.95 13.71 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.125 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.23 165.349 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 75.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 19' ' ' LEU . 96.1 mt -73.59 134.75 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.196 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -103.42 -47.89 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.246 170.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -161.51 130.21 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -105.01 130.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.164 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -136.96 161.66 35.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.202 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.62 169.49 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.212 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.5 p -127.84 167.25 19.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.196 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.9 Cg_exo -53.62 -32.28 63.82 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.773 1.648 . . . . 50.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -102.99 109.98 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.197 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -65.46 -15.55 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.185 -171.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.02 -27.44 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.236 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 t -122.62 149.87 43.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.227 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.7 ttm -127.11 143.96 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.257 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.52 129.91 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.175 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.08 108.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.189 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.1 m -81.55 122.29 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.173 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 3' ' ' ILE . 79.2 mt -114.2 159.84 19.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.135 -174.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.24 167.2 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.816 0.341 . . . . 75.0 111.221 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.1 p -80.0 145.49 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.16 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -166.5 158.16 13.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.237 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.6 m -125.69 130.07 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.093 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -128.97 143.47 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.136 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.4 p -124.82 -25.36 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.15 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.6 150.1 41.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.248 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.68 136.76 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.206 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.33 143.95 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.216 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.39 -23.7 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.151 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.8 p -69.92 -14.93 62.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.111 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -94.77 152.38 39.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.181 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.77 138.14 26.33 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.684 1.59 . . . . 50.0 111.254 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.81 -38.49 34.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.132 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -53.57 -53.51 50.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.187 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.49 -33.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.195 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.06 -46.8 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.215 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.07 -45.49 83.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.238 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.416 HG23 HG22 ' A' ' 78' ' ' VAL . 92.2 mt -59.57 -41.7 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.183 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.46 -38.94 75.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.17 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -76.74 -17.31 59.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.213 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.18 124.04 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.195 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.7 124.86 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.58 -29.9 7.57 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.284 -0.726 . . . . 50.0 111.284 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.99 126.49 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 50.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.99 -50.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -146.13 154.71 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.176 -174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.04 124.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.144 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -110.73 127.97 55.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.065 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -109.36 140.35 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.314 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.12 145.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.156 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 55.01 -105.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.18 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -141.71 33.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.275 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -145.32 164.94 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.227 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -113.4 134.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.227 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.7 t -107.67 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.192 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.54 117.58 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.198 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -105.36 119.72 39.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.227 -176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -99.69 -179.95 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.229 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.05 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.209 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.6 -40.44 91.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 50.0 111.122 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.84 -41.43 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.96 161.73 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.082 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -119.14 153.56 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.23 -21.29 63.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.256 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.03 -36.05 70.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.3 m -86.25 -50.42 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.136 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.04 -50.33 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -167.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 57.0 tp -63.83 -46.33 81.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.181 -161.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.3 Cg_exo -48.67 -44.15 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.759 1.639 . . . . 50.0 111.102 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 -45.96 62.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.182 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 HG23 ' A' ' 45' ' ' ILE . 69.9 t -60.68 -48.58 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.225 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.89 -42.5 72.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.143 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.93 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.187 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.1 -47.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.21 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -69.77 -16.92 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.236 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.175 178.396 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.1 tttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 75.0 111.236 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.7 mt -72.71 135.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.197 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.64 -44.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.215 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -150.88 127.86 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.201 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.69 132.72 59.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.264 171.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -136.97 168.16 20.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.239 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.24 169.89 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.206 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 p -129.49 167.96 18.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.19 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.7 Cg_exo -53.81 -30.53 57.67 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.706 1.604 . . . . 50.0 111.252 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -100.18 110.02 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.186 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -67.28 -14.51 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 75.0 111.242 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.5 -23.08 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.219 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -125.44 149.87 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.171 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.5 mtp -125.7 158.63 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.241 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -105.89 125.65 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.172 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.76 111.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.247 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.9 m -99.37 125.08 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.221 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.33 169.86 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 50.0 111.134 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.183 173.366 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.726 0.298 . . . . 75.0 111.249 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -76.48 120.89 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 50.0 111.277 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 33.7 m-20 -144.46 130.19 19.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.149 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.493 ' HG1' ' HD1' ' A' ' 55' ' ' PHE . 90.4 m -109.88 125.18 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 29' ' ' ASP . 96.8 m-85 -131.92 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.224 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.5 p -116.73 -26.74 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.222 170.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.64 160.18 20.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.149 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 46' ' ' LEU . 32.3 m -69.04 158.71 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.19 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -165.05 159.82 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.222 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -73.37 -19.86 60.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.233 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.2 p -75.37 -14.93 60.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.216 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.36 153.82 38.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.223 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.59 141.88 32.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.81 1.673 . . . . 50.0 111.137 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.14 -41.46 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.223 170.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -55.08 -50.06 70.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.131 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.27 -32.68 59.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.148 -174.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.0 -49.93 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.192 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.92 -46.65 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.113 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.418 HG23 HG22 ' A' ' 78' ' ' VAL . 84.6 mt -60.25 -43.8 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.149 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' A' ' 34' ' ' VAL . 71.1 mt -59.9 -36.71 77.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.328 -0.396 . . . . 50.0 111.197 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.36 -23.38 60.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.076 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.21 124.84 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.193 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.91 130.01 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.196 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.51 -30.53 6.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.244 -0.743 . . . . 50.0 111.244 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.95 125.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 50.0 111.116 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.11 -58.63 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.214 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 91.2 p -147.66 154.99 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -133.1 130.82 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.185 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HD1' ' HG1' ' A' ' 30' ' ' THR . 45.9 t80 -113.9 127.38 55.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.207 172.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -108.81 139.19 43.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.223 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -158.63 138.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.192 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp 55.18 -116.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.225 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -122.98 28.65 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.189 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 52.6 p90 -149.7 158.97 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.154 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.07 136.49 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.166 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -100.94 109.97 21.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.205 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.72 119.11 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.186 -175.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -111.86 119.98 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.143 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -98.73 165.39 11.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.252 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.09 155.33 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.267 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.53 -39.29 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.187 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.76 -40.78 75.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.252 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.41 147.12 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 50.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.76 148.38 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.203 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -69.91 -22.92 63.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.153 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -56.27 -37.37 69.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 75.0 111.271 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.36 -50.23 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.45 -50.55 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.114 -166.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.4 tp -62.53 -46.87 89.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 50.0 111.112 -163.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.9 Cg_exo -49.48 -44.43 34.9 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.665 1.577 . . . . 50.0 111.247 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.27 -46.3 64.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.26 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 45' ' ' ILE . 74.0 t -57.36 -51.5 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 50.0 111.292 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.12 -43.86 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.246 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.23 -41.76 76.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.226 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 45' ' ' ILE . 54.0 t -58.24 -49.01 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.174 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -63.05 -27.58 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.245 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.0 111.145 -175.783 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.726 0.298 . . . . 75.0 111.242 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.48 147.68 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.19 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -105.02 -55.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.14 170.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -162.84 169.49 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 130.89 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.255 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.2 t -116.5 133.51 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.233 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.07 171.36 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.217 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.454 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.7 p -134.97 166.84 26.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.194 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 54.2 Cg_exo -54.9 -28.79 60.55 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.586 1.524 . . . . 50.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -96.7 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.236 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -50.19 -39.89 45.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.144 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.94 -22.64 67.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.152 -164.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -124.35 146.35 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.256 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.9 mtp -133.62 155.02 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -108.95 130.34 55.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.247 -174.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.08 125.75 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -93.56 130.09 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.3 mt -106.6 153.16 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.17 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.151 175.602 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.812 0.339 . . . . 75.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -78.96 158.16 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.234 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -167.01 158.76 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.172 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.4 m -118.53 130.1 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.92 107.13 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.214 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -115.08 -46.84 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.213 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.76 143.79 44.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.12 128.96 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.172 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.37 146.3 28.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.167 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.175 -175.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -69.09 -14.84 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.185 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -89.44 156.35 48.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.223 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.8 Cg_exo -54.91 145.52 61.89 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.706 1.604 . . . . 50.0 111.174 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.208 171.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -73.07 -7.73 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.26 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 39' ' ' PRO . 32.2 mm -89.27 -42.23 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.229 167.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.27 -45.41 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.241 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -54.69 -49.18 71.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.47 -42.85 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.256 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.85 -38.19 64.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.228 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.78 -20.34 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 50.0 111.114 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.68 124.76 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.196 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.57 127.7 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.324 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.48 -28.68 8.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.282 -0.727 . . . . 50.0 111.282 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.33 128.59 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 50.0 111.217 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.77 -57.03 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.226 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -158.67 155.51 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.225 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -124.49 139.83 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 50.0 111.176 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -126.65 131.21 51.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.151 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.41 140.61 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.157 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.04 135.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.229 172.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtt 54.4 -104.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.266 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -132.61 25.09 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.236 -167.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.75 161.04 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.187 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -122.46 133.65 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -103.94 114.43 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.8 129.13 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.137 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.09 146.05 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.174 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -120.76 170.06 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.251 -175.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -74.54 155.25 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.2 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.21 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.48 -40.45 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.267 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.12 154.83 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.172 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -120.07 149.89 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.261 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -70.06 -19.78 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.184 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.68 -39.19 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.181 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.2 m -86.39 -50.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.148 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.7 -49.07 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 50.0 111.32 -167.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 51.2 tp -63.03 -46.4 86.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 50.0 111.211 -162.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 81.3 Cg_exo -48.7 -43.25 34.77 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.762 1.642 . . . . 50.0 111.182 177.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.85 -44.41 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.229 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.38 -54.14 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.48 -45.38 76.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.252 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.38 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.152 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.55 -40.0 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.157 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.98 4.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.245 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.245 176.821 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.833 0.349 . . . . 75.0 111.184 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.91 129.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.187 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -94.79 -45.03 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.181 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -162.35 139.8 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.143 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -111.26 115.25 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.192 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.8 p -113.86 165.42 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.122 -174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.42 169.74 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.276 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -130.65 168.27 17.74 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.207 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.4 Cg_exo -53.75 -30.15 55.31 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.652 1.568 . . . . 50.0 111.241 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -101.97 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.157 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -67.05 -14.55 63.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.0 111.189 -170.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.78 -20.52 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.197 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -126.3 147.83 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.188 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.2 mtp -126.7 158.91 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.18 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -108.59 123.02 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.279 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.45 109.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.222 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -88.81 126.84 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.14 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.36 153.3 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 50.0 111.171 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.233 172.329 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 75.0 111.187 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -75.51 149.75 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.194 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.16 159.18 25.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.209 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -121.28 128.62 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.241 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 83.2 m-85 -122.23 138.06 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.147 -177.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -125.1 -71.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.134 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.69 150.13 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.239 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.5 132.77 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -156.72 159.88 38.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.151 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -73.95 -31.43 63.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.304 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.4 p -65.21 -17.9 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -89.99 151.2 44.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.138 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.12 136.12 37.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.708 1.605 . . . . 50.0 111.207 170.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.63 64.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.232 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -66.69 -31.99 73.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.176 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.17 -38.54 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.194 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.53 -44.1 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.224 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.59 -47.45 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.143 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.98 -46.03 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.216 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.57 -36.35 78.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.13 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.15 -18.61 61.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.232 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.53 120.17 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.147 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.61 124.97 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.216 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.59 -20.85 17.6 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.198 -0.761 . . . . 50.0 111.198 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.13 125.55 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 50.0 111.108 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -95.18 -59.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 50.0 111.171 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.3 p -144.74 156.44 44.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 50.0 111.222 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 74.9 mt -127.23 136.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.236 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -121.22 121.79 38.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.271 167.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -115.32 114.28 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.199 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -141.6 138.7 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.17 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm 64.75 -121.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.225 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -126.21 39.87 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.248 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 50.3 p90 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.235 174.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mm -114.65 136.79 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.173 -175.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.5 t -102.89 107.3 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.189 168.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -104.82 118.09 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.159 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -110.74 123.69 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.156 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -97.35 179.95 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.286 -176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.53 158.75 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.26 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.92 -39.94 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.175 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.04 -40.55 75.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.214 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 158.64 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.169 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -124.22 151.39 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.141 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -70.3 -23.17 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.227 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -41.1 65.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.141 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.8 m -87.35 -50.96 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 50.0 111.194 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.36 -47.68 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.154 -167.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.595 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.1 tp -61.46 -52.93 66.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.244 -164.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 23.5 Cg_endo -62.47 -36.19 67.26 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 50.0 111.151 -176.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.47 -44.13 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 50.0 111.145 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.78 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.178 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.63 -40.92 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.161 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.38 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.308 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.39 -39.96 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -91.12 37.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.225 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 75.0 111.257 170.149 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 75.0 111.231 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 19.9 tt -65.95 149.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.169 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.28 -45.15 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.173 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -163.24 167.13 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.94 123.7 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.221 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -104.98 141.49 36.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.18 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -76.89 162.28 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.167 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 61.8 p -138.03 163.4 48.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.245 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 44.2 Cg_exo -55.9 -27.75 64.72 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.674 1.583 . . . . 50.0 111.197 174.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.64 156.44 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.149 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.52 -50.0 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.235 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -73.67 -14.4 61.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.281 -0.418 . . . . 50.0 111.156 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 t -133.74 140.59 47.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.228 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.6 mtp -127.63 173.4 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.277 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -106.6 129.95 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.185 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.88 127.53 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.172 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -95.26 129.79 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.262 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.04 155.12 44.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.169 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.196 -179.196 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.841 0.353 . . . . 75.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.48 160.3 17.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.24 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -165.64 154.89 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.221 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -119.33 129.3 54.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 -176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -124.51 104.99 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.204 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -119.42 -30.95 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.237 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -125.21 152.17 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.178 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.25 133.34 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.53 146.83 19.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.215 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.29 -31.14 71.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.232 -175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -70.12 -13.55 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.212 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.79 152.86 42.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HB2' HG12 ' A' ' 42' ' ' ILE . 53.7 Cg_exo -50.6 137.18 41.4 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.69 1.593 . . . . 50.0 111.097 174.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.15 -47.5 65.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.154 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -70.05 -25.34 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 75.0 111.297 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.4 mm -71.75 -34.05 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.196 171.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.92 -44.64 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.246 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.22 -50.05 74.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.24 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 78' ' ' VAL . 15.2 tt -63.74 -34.2 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.216 -174.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.26 -37.39 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.22 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.33 -22.03 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.34 122.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.248 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.86 128.27 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.23 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.45 -32.64 6.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.226 -0.75 . . . . 50.0 111.226 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.29 125.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 50.0 111.148 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -99.08 -52.25 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.178 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -145.7 139.85 26.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.242 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mm -117.75 126.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -123.4 126.68 47.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.309 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -99.9 124.72 45.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.235 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -133.85 131.29 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.21 172.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.3 ttm 54.59 -105.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -130.41 24.4 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.134 -174.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.98 165.1 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.167 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.14 127.31 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.19 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -91.98 125.58 36.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.203 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -113.85 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.191 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.71 127.04 53.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.191 176.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -97.25 -179.93 4.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 -174.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -84.98 156.86 20.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.206 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.8 -40.03 94.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.201 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.09 -41.56 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.173 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.22 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.204 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.47 156.62 31.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.306 173.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -66.89 -26.32 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.206 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.54 -36.07 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.0 111.227 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.5 m -81.93 -49.13 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.67 -49.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.179 -166.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 33.7 mt -60.59 -46.68 97.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.157 -164.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 95.5 Cg_exo -46.56 -44.65 20.89 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.772 1.648 . . . . 50.0 111.21 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.91 -44.21 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.204 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 45' ' ' ILE . 76.2 t -54.89 -50.62 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.219 176.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.85 -45.62 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.18 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 50.0 111.188 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.66 -38.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.202 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 11.1 m-30 -93.39 21.46 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.204 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.126 170.448 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.5 tttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.791 0.329 . . . . 75.0 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 134.76 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.178 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -95.88 -46.17 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.257 171.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -162.16 138.95 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 50.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -102.58 115.17 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 50.0 111.117 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.1 t -100.02 148.37 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.161 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.94 168.95 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.192 170.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -135.01 159.62 71.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.17 -35.7 74.34 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 50.0 111.266 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -105.42 111.67 24.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.192 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -88.91 19.63 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 75.0 111.171 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.37 -6.56 59.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.157 165.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -142.66 146.06 34.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.278 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.4 mmm -114.74 153.26 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.128 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -109.31 123.89 50.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.249 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.07 112.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.199 -177.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -82.44 126.11 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.254 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.74 153.29 27.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.235 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.206 178.339 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.746 0.307 . . . . 75.0 111.207 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 94.5 p -76.4 145.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.123 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -166.92 154.26 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.251 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -123.05 129.96 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.179 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -128.17 118.94 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 50.0 111.169 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -121.74 -30.47 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.158 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -110.59 129.35 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.25 -174.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -56.4 124.82 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.254 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -155.08 170.83 20.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.181 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -75.29 -10.82 59.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.4 p -72.8 -20.57 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.224 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.72 152.38 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.167 173.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -50.0 145.79 18.52 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.768 1.645 . . . . 50.0 111.187 166.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.94 -44.33 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -74.49 -19.23 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.0 111.229 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.7 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.267 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.47 -38.49 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.194 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.1 m-20 -52.19 -48.6 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.27 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.17 -47.0 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.199 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.45 -38.15 73.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.215 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.96 -19.66 57.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.169 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' ASP . 66.1 t -60.13 121.4 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 175.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 111.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.173 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.26 -20.8 5.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.226 -0.749 . . . . 50.0 111.226 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.6 t -77.93 129.44 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 50.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.09 -56.07 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.208 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.3 p -150.45 154.7 38.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.262 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -119.51 118.07 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.195 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -115.23 131.33 56.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.263 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' SER . 52.0 t-80 -109.67 140.02 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.194 173.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 12.3 p -153.49 140.17 12.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.176 170.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 ttm 61.82 -105.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.157 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -141.14 31.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 53.1 p90 -144.9 165.1 29.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.23 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mm -110.32 133.43 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.152 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.6 t -105.17 109.93 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.235 166.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.39 120.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -112.28 126.83 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.18 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.26 179.91 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.39 160.73 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.261 171.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.28 -39.92 92.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.183 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.94 -40.22 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.19 156.17 10.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.152 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -120.34 147.54 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.263 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -70.48 -21.86 62.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.252 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.6 m -87.67 -50.7 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.222 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.45 -50.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.173 -164.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 49.4 tp -64.33 -45.37 78.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.169 -162.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.3 Cg_exo -50.14 -41.05 50.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.672 1.581 . . . . 50.0 111.27 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.18 -43.03 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.187 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.96 -48.28 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.238 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.63 -40.33 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.361 175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.9 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 50.0 111.181 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.13 -34.42 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.273 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.85 -26.15 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.174 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.209 178.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 tttt . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.7 0.286 . . . . 75.0 111.229 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.58 139.99 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.214 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.96 -54.87 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.215 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -158.53 167.86 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.138 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.99 116.27 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.243 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.7 p -108.03 163.34 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.15 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.78 168.63 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.257 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 p -134.46 164.98 40.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.138 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 53.2 Cg_exo -54.62 -31.81 72.11 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.606 . . . . 50.0 111.187 177.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -100.33 109.94 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 75.0 111.263 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -69.15 -9.86 54.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.18 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -80.12 -7.28 58.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.129 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 t -136.88 150.05 48.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.249 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -116.76 151.3 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.187 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -109.9 119.36 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.183 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.53 124.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.24 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -86.56 135.28 33.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.2 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.86 158.44 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.236 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.273 -174.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 75.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -138.63 152.12 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.165 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -164.61 156.73 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.156 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -118.68 130.06 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.252 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -121.75 104.29 9.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.155 -173.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -116.57 -30.13 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.159 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.01 165.87 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.192 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.28 124.01 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.175 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.92 160.12 41.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.187 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -73.86 -30.64 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.159 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.4 p -66.46 -14.87 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.255 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.02 153.92 47.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 75.0 111.233 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -52.26 136.13 54.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.789 1.659 . . . . 50.0 111.128 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.15 -45.13 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.165 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 75.0 111.22 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.5 mm -60.46 -38.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.235 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.76 -49.16 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.207 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.75 -47.85 83.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.119 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.79 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.173 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 mt -55.18 -40.3 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 50.0 111.215 173.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.36 -19.52 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.244 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.96 124.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.78 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.203 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.01 -26.4 15.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.189 -0.764 . . . . 50.0 111.189 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.43 129.19 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 50.0 111.135 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -93.93 -56.79 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.227 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -161.26 157.34 25.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.239 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.66 130.47 74.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.287 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.26 130.03 56.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.175 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -109.97 136.58 49.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.239 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.72 127.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.22 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.31 -118.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.211 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -113.26 22.22 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.151 -166.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -150.81 160.1 44.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.218 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.95 135.07 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.249 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 t -104.95 109.95 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.259 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.69 125.0 65.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.225 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.181 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.73 179.13 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.251 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -84.8 161.78 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 50.0 111.311 171.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.03 -39.77 95.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.192 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.38 -40.01 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.139 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.02 160.06 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.233 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.95 149.82 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.192 173.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -69.49 -26.93 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.239 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.44 -35.76 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.233 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -82.47 -49.59 9.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 50.0 111.124 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.12 -50.17 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.17 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 35.5 mt -61.4 -46.0 94.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.18 -163.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 76.5 Cg_exo -45.79 -44.28 18.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.751 1.634 . . . . 50.0 111.224 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.13 -45.3 61.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.6 -55.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.2 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -58.41 -38.76 78.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.222 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -41.47 73.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.186 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.38 -46.07 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.153 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -57.89 -30.09 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.268 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.247 -173.386 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 75.0 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 84.6 mt -97.12 139.75 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.099 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.8 mt -93.17 -52.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.251 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -157.93 157.29 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.25 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.7 123.84 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 50.0 111.249 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.0 p -118.11 168.28 10.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 50.0 111.134 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.24 169.41 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.249 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.9 p -130.24 160.0 67.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -33.74 81.97 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.742 1.628 . . . . 50.0 111.178 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -92.79 113.17 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.17 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 55.8 t-80 -70.03 156.91 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.186 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 77.2 m-20 80.38 12.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.153 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -146.72 141.11 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.259 166.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.5 mmm -115.5 152.92 32.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.134 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.35 119.81 40.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.197 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -108.27 117.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.223 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -85.11 128.56 34.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.242 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -100.78 156.11 17.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.196 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.155 178.451 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.771 0.319 . . . . 75.0 111.303 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -137.74 116.47 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.086 170.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -161.22 162.29 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.234 -166.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -115.36 130.63 56.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.191 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -118.58 119.54 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.194 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 p -119.29 -31.27 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.264 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.93 162.71 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.0 111.276 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.87 134.62 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.9 141.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.199 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.88 -30.04 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.194 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -71.04 -14.25 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.177 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -85.82 158.53 56.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.0 111.246 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.2 Cg_exo -54.88 146.67 55.4 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.595 1.53 . . . . 50.0 111.259 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.59 -51.26 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.231 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.02 -10.03 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.294 -174.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 39' ' ' PRO . 33.9 mm -86.42 -43.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.149 171.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.25 -44.04 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.299 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -55.21 -47.16 75.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.196 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.84 -44.92 75.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.148 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.24 -43.54 70.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.175 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -74.89 -12.27 60.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.212 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.49 124.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.168 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.81 128.75 38.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.221 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.71 -16.4 21.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.185 -0.766 . . . . 50.0 111.185 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.39 128.78 39.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.805 0.336 . . . . 50.0 111.172 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.96 -58.78 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.214 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -152.44 152.87 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.271 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.21 125.37 67.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 50.0 111.14 172.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -115.08 128.5 56.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.214 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -116.09 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.245 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -143.56 129.6 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.182 167.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm 54.93 -110.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.218 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -122.77 23.24 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 75.0 111.248 -164.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.78 155.18 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.17 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -123.39 133.76 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.199 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -101.58 112.24 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.71 121.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.266 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.83 130.34 56.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.162 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -101.03 179.88 4.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.273 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -84.38 162.41 20.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.271 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.76 -39.91 94.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 50.0 111.244 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.96 -40.1 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.198 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.71 157.61 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.247 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -125.01 151.7 45.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.225 174.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -70.34 -22.59 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.158 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.04 -40.04 63.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.137 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.6 m -87.2 -50.76 6.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.177 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.56 -50.03 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.196 -165.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 32.7 tp -65.1 -45.27 72.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.175 -161.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 89.1 Cg_exo -50.1 -42.77 45.15 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.643 1.562 . . . . 50.0 111.31 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.7 -45.98 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.211 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.31 -51.75 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.139 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.0 -47.24 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.68 -42.9 79.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.272 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.6 -39.55 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.202 -174.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -82.46 10.38 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.091 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 75.0 111.227 171.149 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HG2' ' HA ' ' A' ' 22' ' ' SER . 55.1 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.86 0.362 . . . . 75.0 111.245 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -105.4 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 93.5 mt -76.53 133.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.116 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.2 mt -93.42 -48.75 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 50.0 111.326 167.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -164.98 155.21 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.198 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.34 120.35 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.205 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -114.61 169.57 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.128 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.01 169.29 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.185 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.5 p -132.41 165.56 35.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.231 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 74.3 Cg_exo -53.95 -31.29 62.72 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.703 1.602 . . . . 50.0 111.209 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -102.4 110.11 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.175 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -69.5 -11.94 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 75.0 111.171 -168.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.16 -11.52 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -132.96 146.43 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.142 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -113.31 154.12 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.193 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -106.24 120.15 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.135 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -106.92 112.41 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.169 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.2 m -86.88 124.61 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.181 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 3' ' ' ILE . 72.4 mt -113.52 149.74 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.149 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -84.97 -54.91 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.174 168.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -91.27 136.82 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.0 111.154 166.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.5 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -117.88 -164.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.0 111.205 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -63.4 154.62 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.169 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -41.35 -46.4 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.0 111.212 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.06 129.53 9.12 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 75.0 111.167 167.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.465 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 59.3 mtt -87.02 16.86 4.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 50.0 111.23 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.2 p -70.01 164.12 24.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.0 111.244 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -76.53 152.19 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.153 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -167.2 160.01 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -127.11 129.96 48.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.165 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 73.9 m-85 -125.5 129.62 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.276 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -122.68 -25.3 4.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.25 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.43 150.36 39.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.253 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.22 129.52 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.201 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -164.05 170.7 16.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.271 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.56 -19.55 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.269 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.6 p -76.25 -15.16 60.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.161 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 19.8 mp0 -89.3 150.81 45.51 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.248 176.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -49.91 144.59 20.84 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.653 1.569 . . . . 50.0 111.167 167.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.06 -46.63 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.189 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -54.94 -47.39 74.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.15 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.82 -36.28 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.211 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.21 -48.56 72.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.171 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.71 -47.08 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.162 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.05 -43.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.25 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.57 -37.45 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.168 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -73.36 -23.26 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.246 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.82 123.98 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.161 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.56 125.14 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.224 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.33 -32.29 5.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.266 -0.734 . . . . 50.0 111.266 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.97 125.03 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 50.0 111.227 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -96.72 -56.85 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.225 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -148.47 154.07 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.1 mt -126.77 131.86 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.175 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -115.87 129.98 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.114 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -113.9 140.11 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.246 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.64 139.86 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.194 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttm 55.03 -106.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.0 111.224 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -136.3 33.29 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 75.0 111.126 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -150.54 156.51 41.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.53 134.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.255 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.0 t -101.43 111.3 23.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.133 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.48 115.19 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.184 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -110.38 132.98 53.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.124 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.602 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -119.53 169.81 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.16 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 154.96 36.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.165 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -57.74 -38.4 75.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.185 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.84 147.98 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.203 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -116.22 146.32 42.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 50.0 111.218 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -70.1 -24.84 63.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.149 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.04 -39.93 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.176 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.4 m -86.55 -50.42 6.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 50.0 111.228 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.88 -50.7 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.252 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 39.0 tp -64.6 -45.56 76.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.26 -162.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 86.6 Cg_exo -49.79 -42.94 42.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.683 1.589 . . . . 50.0 111.179 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.73 -45.08 76.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.11 -49.64 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.28 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -43.18 76.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.193 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.04 75.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.181 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.55 -50.96 46.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.127 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -65.17 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.233 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -68.38 -25.25 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.3 mt -47.11 -43.58 20.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.217 -171.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -99.83 -30.06 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 75.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.7 21.34 12.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 75.0 111.165 -173.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -62.46 134.46 56.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 75.0 111.184 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -119.7 151.69 38.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.179 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -160.74 176.04 11.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 75.0 111.189 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -134.98 64.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.143 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.0 m170 . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.183 -178.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.746 0.308 . . . . 75.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.48 136.8 49.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 75.0 111.202 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.99 130.16 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.207 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.99 -42.59 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.172 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -161.25 137.43 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.16 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -105.54 112.89 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.19 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -100.07 153.46 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.13 -174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.52 166.2 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.163 169.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 30.1 p -134.79 164.77 41.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.17 -177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.7 Cg_exo -53.07 -33.51 63.67 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.776 1.651 . . . . 50.0 111.156 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -100.32 107.94 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.192 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -69.81 -10.06 57.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 75.0 111.224 -170.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.65 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -134.31 146.2 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.22 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.9 mmm -113.49 153.06 29.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.252 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.84 120.0 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.216 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.9 mt -107.41 111.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.184 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.8 m -85.03 124.34 31.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.38 149.12 32.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 50.0 111.229 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t -78.61 -56.58 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.256 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -125.08 82.83 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 75.0 111.171 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.6 p -71.12 172.89 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.175 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.07 140.1 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 75.0 111.189 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -47.28 -40.05 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.0 111.194 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.97 70.27 1.8 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.248 -0.741 . . . . 75.0 111.248 174.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.0 mtt -76.14 0.42 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 50.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -61.07 161.09 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.182 171.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -64.93 143.63 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.173 -176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -157.78 152.03 24.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.239 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -117.11 128.76 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.221 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -125.04 105.27 9.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.191 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -118.14 -31.54 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.188 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.4 mttt -127.66 141.7 51.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.205 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.29 133.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.183 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -159.44 147.47 17.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.175 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.11 -29.99 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.202 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.8 p -69.98 -13.97 62.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 50.0 111.173 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 70.9 mt-30 -89.97 155.83 47.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.243 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.94 133.97 41.3 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.687 1.591 . . . . 50.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.91 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.246 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -55.43 -47.99 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 75.0 111.262 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mm -58.17 -39.8 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.241 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.29 -48.53 75.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.218 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.96 -47.04 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.173 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.65 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.178 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.45 -37.55 73.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.167 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.51 -22.97 59.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.05 122.83 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.2 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.81 126.3 27.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.147 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.68 -25.21 9.16 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.276 -0.729 . . . . 50.0 111.276 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.01 124.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 50.0 111.213 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -95.39 -59.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.2 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.8 p -149.96 148.9 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.199 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -124.96 139.99 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.206 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -126.26 122.61 36.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.194 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -101.97 129.06 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.162 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.46 128.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.243 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.2 mtp 59.63 -120.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.21 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -118.05 29.19 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.136 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -149.56 155.09 39.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.168 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -123.5 133.81 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.18 -172.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.6 t -100.24 112.32 24.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.405 . . . . 50.0 111.16 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -106.79 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.221 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.53 127.55 54.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -97.86 -179.95 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.235 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -84.46 159.97 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.246 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.66 -39.33 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.107 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.02 -40.3 75.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.115 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.68 158.77 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -123.55 147.6 47.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.124 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -70.07 -26.18 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.185 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.34 -34.9 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.176 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.0 m -82.7 -49.91 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.198 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.81 -50.27 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.253 -165.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 30.5 mt -61.75 -45.79 92.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.207 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 79.8 Cg_exo -46.62 -44.0 22.07 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.756 1.637 . . . . 50.0 111.157 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.7 -46.07 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.04 -49.09 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.268 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.41 -44.11 72.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.95 77.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.242 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.5 -50.03 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.263 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -67.86 -30.68 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -104.61 30.03 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.282 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.75 -35.02 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 75.0 111.19 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.01 125.09 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.223 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -76.61 151.08 36.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 75.0 111.133 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -51.14 -47.04 62.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.0 111.158 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -105.17 64.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.409 . . . . 75.0 111.127 168.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.83 135.0 57.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.26 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -146.79 165.59 29.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 75.0 111.209 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.3 m170 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.168 -178.173 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.355 . . . . 75.0 111.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -110.13 155.29 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 75.0 111.182 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -89.92 137.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.212 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 98.6 mt -96.09 -53.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.202 166.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -157.26 154.91 29.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.146 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.2 120.19 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.239 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -107.32 157.16 18.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.141 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.21 167.73 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.207 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 16.8 p -134.32 168.09 19.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.164 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.7 Cg_exo -54.06 -29.27 54.34 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.704 1.603 . . . . 50.0 111.131 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -98.5 110.04 22.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.174 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -51.48 -36.03 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.216 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -79.27 1.85 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.174 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.4 m -127.33 137.73 52.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.233 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.7 mmm -120.7 151.61 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.164 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -108.3 128.47 54.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.161 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -115.04 118.31 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.229 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.8 m -88.61 128.06 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.19 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.27 149.49 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 50.0 111.211 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -97.27 -32.61 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.205 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -85.23 144.86 27.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 75.0 111.201 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.8 t -88.66 104.89 17.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.209 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.99 148.5 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.243 173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -41.72 -45.8 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.205 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.04 130.44 9.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.218 -0.753 . . . . 75.0 111.218 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.412 ' HB3' ' HA ' ' A' ' 58' ' ' MET . 33.4 mmt -92.31 9.71 32.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 50.0 111.259 170.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.3 p -76.89 165.08 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.162 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -74.98 149.19 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.193 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -159.28 155.72 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.288 174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.3 m -121.27 131.22 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.156 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -127.37 110.99 13.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.206 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.2 p -120.74 -33.11 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.227 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 99.2 mttt -122.87 139.71 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.233 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.2 t -59.75 133.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.239 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -159.97 159.88 32.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.153 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -74.83 -22.41 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.166 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.1 p -69.49 -15.05 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.193 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 51.1 mt-30 -99.56 151.83 37.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.221 -175.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.08 138.85 35.46 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.558 . . . . 50.0 111.235 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.73 -45.1 39.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.231 173.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -55.06 -46.97 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.194 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.83 -38.08 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.184 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.1 -48.89 72.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.176 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -56.36 -47.13 79.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 HG22 ' A' ' 78' ' ' VAL . 93.6 mt -61.85 -44.13 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.174 -177.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -57.64 -36.99 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.27 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.88 -23.94 60.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.154 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.9 120.49 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.228 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.63 125.87 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.157 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.82 -26.38 8.01 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.231 -0.747 . . . . 50.0 111.231 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.73 127.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 50.0 111.181 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -92.62 -58.86 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.258 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.4 p -154.46 157.82 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.177 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.82 139.42 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.232 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -127.76 129.98 47.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -119.35 120.9 38.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 p -138.97 140.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.179 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 26' ' ' MET . 98.5 mmm 49.0 -129.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.143 -171.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -109.93 31.34 5.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.181 -170.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -148.31 154.71 40.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.156 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.1 mt -123.89 134.73 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.218 -176.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -99.29 115.51 29.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.212 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.29 123.34 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.171 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.28 145.57 49.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.253 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -105.96 179.96 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.206 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.31 160.4 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.219 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.81 -38.63 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.196 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.03 -40.57 78.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.224 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.83 160.24 20.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.257 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.66 151.26 48.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.204 174.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -69.99 -24.58 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.178 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.95 -40.42 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 75.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -86.59 -50.28 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 50.0 111.247 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.48 -49.53 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.196 -166.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 48.0 tp -63.38 -45.7 84.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 50.0 111.248 -162.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.7 Cg_exo -49.97 -42.67 44.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.741 1.627 . . . . 50.0 111.184 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.2 -45.5 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 45' ' ' ILE . 70.8 t -56.51 -49.3 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.211 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.26 -43.26 74.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.252 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.93 78.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.157 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.4 t -55.37 -49.75 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.167 -172.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.63 -21.45 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.107 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -97.66 5.08 49.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.21 -175.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.81 -30.33 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.265 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -84.46 -9.94 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.194 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -70.42 152.07 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.28 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -49.94 -40.03 42.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.228 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -72.36 -30.12 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 75.0 111.192 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 64.95 -155.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.177 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -170.16 -177.39 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.0 m170 . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.121 -179.139 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.777 0.322 . . . . 75.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -159.13 153.21 23.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.131 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.91 131.65 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.262 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.21 -44.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.192 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -162.65 139.85 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.298 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.6 mt -110.44 129.95 64.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.185 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -117.9 156.38 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.159 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.14 166.99 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.216 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.8 p -132.64 167.29 23.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.214 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.8 Cg_exo -53.97 -31.74 65.02 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.762 1.641 . . . . 50.0 111.152 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -96.24 109.89 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.0 111.279 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -70.21 -10.02 57.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.159 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -88.49 1.16 55.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.437 . . . . 50.0 111.274 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -141.32 142.22 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.255 174.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.4 mtp -126.05 153.0 45.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.224 -175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -103.69 127.2 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.179 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.56 103.04 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.231 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -78.96 123.16 27.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.209 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.79 158.97 17.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.273 -174.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -78.5 -55.61 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.161 175.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -135.02 99.1 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.143 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -89.97 -161.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -43.65 138.89 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.295 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.44 -57.02 2.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.156 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.23 127.54 8.24 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.204 -0.759 . . . . 75.0 111.204 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 mmt -94.82 15.09 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 50.0 111.235 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.9 p -69.78 166.79 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.207 175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -73.36 154.83 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.201 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.75 157.87 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.184 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.3 m -120.04 126.92 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.157 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 58.8 m-85 -125.33 104.9 8.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.227 -177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.1 p -121.84 -24.93 5.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.35 156.33 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.239 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.22 123.86 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.227 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -162.41 178.97 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.125 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.214 -172.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -72.97 -18.32 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.261 -171.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.606 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 13.9 mp0 -81.63 142.29 49.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.192 174.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.4 136.13 39.84 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.723 1.615 . . . . 50.0 111.245 172.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -43.34 32.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.248 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -57.63 -47.26 82.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.198 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.95 -35.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.205 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.84 -49.91 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.151 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -57.38 -47.86 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.183 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.55 -44.84 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.237 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.54 -37.9 73.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.159 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -74.51 -21.58 59.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.207 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.31 122.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.138 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.62 124.98 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.16 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -24.67 8.9 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 50.0 111.157 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.69 125.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 50.0 111.169 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.0 -58.38 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.143 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.2 p -150.69 151.79 32.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.221 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.9 mt -123.28 136.28 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.172 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -120.94 129.31 53.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.25 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.22 139.89 43.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.262 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.35 147.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.172 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.2 mmm 51.99 -131.52 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.187 -171.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -114.09 45.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 75.0 111.192 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -153.6 162.83 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.272 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.28 135.15 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 50.0 111.159 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -105.9 115.88 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.229 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -107.87 124.26 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.192 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -116.18 124.67 50.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.216 -177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -95.66 178.67 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.254 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.12 160.61 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.247 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.08 -39.19 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.96 -40.12 75.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.287 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 158.3 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.235 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.48 153.76 43.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 50.0 111.289 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -72.14 -20.6 61.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.234 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.75 -40.1 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.226 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -87.68 -51.23 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.18 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.53 -47.66 79.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.12 -167.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.4 tp -60.54 -52.96 69.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.249 -164.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.1 Cg_endo -61.98 -34.44 80.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.683 1.589 . . . . 50.0 111.163 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.33 -43.23 82.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.151 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.39 -45.13 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.121 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -55.72 -43.07 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.229 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.42 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.175 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.1 t -55.86 -49.47 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.233 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -74.99 -14.79 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.114 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.86 -26.4 64.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.18 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.2 -24.98 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.236 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 51.57 59.94 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 75.0 111.255 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -72.49 100.11 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 75.0 111.155 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.34 -20.71 13.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.0 111.238 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.94 66.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.143 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -148.38 129.84 14.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.226 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -72.05 122.5 21.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 75.0 111.159 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.1 m170 . . . . . 0 C--O 1.201 -1.492 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.201 175.267 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.72 0.295 . . . . 75.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -139.62 124.86 18.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.236 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 18.0 tt -69.89 147.27 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.218 -172.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.99 -54.32 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.19 173.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -161.7 164.64 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.211 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.7 mt -123.01 121.69 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.165 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.9 p -109.27 164.9 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.175 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -89.98 168.76 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.249 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.8 p -134.57 166.32 30.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.245 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 77.8 Cg_exo -53.71 -32.61 66.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.691 1.594 . . . . 50.0 111.196 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -101.4 109.94 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 75.0 111.204 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -69.92 -10.8 59.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.237 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -78.14 -8.71 58.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.216 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -135.01 147.14 49.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.226 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mmm -118.59 154.98 31.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.185 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -106.24 127.15 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.141 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.42 123.78 69.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.159 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -99.83 121.8 41.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.255 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -110.42 150.25 29.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.203 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -81.07 -36.77 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.146 171.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -126.69 153.06 45.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.14 171.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 p -119.34 -170.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.282 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -58.74 171.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 75.0 111.176 163.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -42.38 -50.72 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.144 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.59 142.85 15.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.257 -0.737 . . . . 75.0 111.257 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.0 mtt -99.11 41.6 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 50.0 111.137 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.3 p -99.57 173.9 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 75.0 111.179 173.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -74.19 148.47 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.102 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.57 159.71 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 50.0 111.17 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -119.08 131.26 55.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.187 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -127.89 120.87 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.189 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.7 p -119.94 -40.48 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.181 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -129.88 153.85 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.264 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.49 133.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.264 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -156.46 159.96 39.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.262 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.93 -38.21 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.174 -173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -66.62 -19.24 65.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.204 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -85.82 149.97 52.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.241 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -50.45 131.15 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.723 1.615 . . . . 50.0 111.232 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.32 -37.62 48.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.186 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.238 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.45 -39.91 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 50.0 111.222 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.77 -43.07 94.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.252 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -55.21 -49.9 70.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 50.0 111.221 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.23 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.212 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.93 -37.29 71.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.159 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -72.81 -26.06 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.218 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.26 123.04 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.19 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.45 125.76 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.188 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.4 -25.69 8.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.175 -0.77 . . . . 50.0 111.175 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.76 124.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 50.0 111.223 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.97 -59.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.199 -175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.6 p -145.11 152.27 39.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.22 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.9 mt -128.22 135.84 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.203 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -118.71 127.94 54.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.158 169.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -119.86 117.64 28.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.234 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -141.91 139.99 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.19 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm 64.79 -124.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 75.0 111.214 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -121.19 30.94 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 75.0 111.182 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.64 155.14 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.173 175.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -125.65 134.96 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.213 -173.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 t -103.24 115.21 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.195 173.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.17 117.76 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.221 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -109.28 127.72 54.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.218 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -98.38 179.94 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 50.0 111.27 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.53 160.03 20.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.283 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.06 -39.41 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.127 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.92 -39.98 75.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.196 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.31 159.47 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 50.0 111.218 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -125.99 147.15 49.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.264 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -69.96 -25.14 63.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.272 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.55 -38.64 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.0 111.212 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -81.41 -50.03 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.233 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.83 -51.28 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.213 -164.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 34.7 mt -62.79 -45.43 87.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.196 -162.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 84.3 Cg_exo -46.89 -44.24 22.84 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.676 1.584 . . . . 50.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.62 -44.03 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.233 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.04 -51.35 54.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.212 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.7 -42.09 74.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.245 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.83 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.234 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -51.86 -47.89 39.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.164 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 67.1 m-85 -80.03 -30.54 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.202 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -74.54 3.9 6.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 75.0 111.316 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.39 -34.98 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.205 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 55.5 39.51 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 75.0 111.213 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 64.2 m170 -82.59 149.91 27.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 75.0 111.184 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -79.09 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 75.0 111.198 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -116.16 81.34 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.274 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 86' ' ' HIS . 78.9 t60 -83.75 131.14 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.159 -175.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -125.98 137.91 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.234 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.242 -0.435 . . . . 75.0 111.192 -178.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.867 0.365 . . . . 75.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -131.52 131.67 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.21 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.34 131.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.187 -166.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -99.44 -47.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.156 166.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -163.28 137.31 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.207 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.8 mt -110.58 133.08 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.223 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.4 p -138.92 160.83 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.118 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.49 169.63 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.129 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 43.1 p -124.81 164.54 30.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.159 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 52.3 Cg_exo -55.25 -29.57 67.64 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.716 1.611 . . . . 50.0 111.215 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.28 140.52 30.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.213 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 48.3 t-80 -88.03 154.54 20.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.622 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 92.9 m-20 76.71 13.31 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.207 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 t -148.65 137.74 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.165 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.6 mtp -130.11 158.65 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.199 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -112.29 128.69 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.206 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.9 122.95 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.22 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.4 m -91.66 123.09 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.221 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -115.04 154.81 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.237 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -81.21 -56.39 4.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.251 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -129.58 81.27 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.094 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -75.03 -170.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 75.0 111.194 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -37.54 133.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.0 111.194 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -42.34 -57.07 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.192 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 117.41 8.08 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.157 -0.777 . . . . 75.0 111.157 173.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.29 6.32 43.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 50.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -72.66 165.83 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.239 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.7 p -74.15 150.82 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.165 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -162.02 157.41 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.234 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m -119.18 135.25 54.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.254 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -122.79 109.24 13.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.172 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.8 p -118.74 -29.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.215 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.23 164.21 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 75.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -86.67 125.54 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.215 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -144.86 160.0 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.128 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -72.12 -31.35 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.216 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -66.49 -15.61 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.257 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -90.11 150.18 42.88 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.165 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.96 137.91 52.54 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.647 1.565 . . . . 50.0 111.175 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.13 54.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.223 171.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -53.69 -45.91 70.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.208 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.21 -40.25 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.225 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.36 -48.31 76.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.216 -173.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -56.04 -48.15 76.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 50.0 111.247 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.89 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.16 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 mt -54.1 -40.19 67.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.16 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -75.65 -18.43 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.211 -175.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.82 123.88 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.212 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.24 129.65 42.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.174 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.96 -25.27 11.73 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.191 -0.764 . . . . 50.0 111.191 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.8 t -75.0 125.76 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 50.0 111.168 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.81 -55.99 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.22 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -159.83 157.27 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -124.92 134.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.22 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -120.28 130.02 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.417 . . . . 50.0 111.212 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -112.73 140.23 47.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -161.01 144.75 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.309 170.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm 59.18 -125.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.247 -172.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -121.54 41.59 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.216 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.29 164.93 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -123.82 137.76 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.227 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.5 t -110.34 115.8 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.16 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.69 131.23 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.176 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -123.48 144.98 49.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.155 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -112.19 177.93 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.26 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -78.69 159.99 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 173.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.27 -39.61 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.202 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.03 -40.52 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.174 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.98 158.51 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.192 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -126.28 154.82 42.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.203 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -69.99 -21.85 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 50.0 111.215 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.75 -36.83 70.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.266 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.5 -50.49 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.238 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.56 -50.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.187 -166.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 63.1 tp -64.25 -46.12 78.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.141 -162.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.3 Cg_exo -49.54 -42.29 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.781 1.654 . . . . 50.0 111.152 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.87 -43.3 72.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.7 t -53.04 -51.9 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.218 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -53.49 -46.52 70.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.158 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.64 72.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.12 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.7 -48.32 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.135 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.86 -27.35 68.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.205 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.26 -8.45 59.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.22 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.12 -36.06 83.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.22 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 55.53 41.52 30.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.189 -175.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -93.52 128.1 39.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.21 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -130.02 -5.11 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.24 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -130.12 164.63 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 75.0 111.141 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -72.69 167.72 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 75.0 111.155 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -89.98 151.93 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.205 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.242 0.411 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 97.2 mtp . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.748 0.309 . . . . 75.0 111.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -140.57 133.65 29.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 75.0 111.24 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -69.85 148.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.25 -174.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 92.9 mt -108.67 -54.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.286 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -165.13 152.37 10.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.212 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.0 mt -113.38 123.59 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.237 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -110.32 163.02 14.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 50.0 111.227 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -91.99 167.71 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.241 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -133.27 168.01 20.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.168 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 71.0 Cg_exo -54.09 -32.05 67.65 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.731 1.621 . . . . 50.0 111.228 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -102.8 110.1 21.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 75.0 111.173 172.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -67.53 -15.37 63.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 75.0 111.198 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -69.88 -21.24 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.155 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -125.32 150.03 47.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.207 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.42 158.86 38.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.24 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -105.59 127.56 53.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.184 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.16 114.48 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.179 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.4 m -89.58 123.72 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.266 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.11 154.62 28.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.131 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p -79.13 -36.98 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.132 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 98.2 mt-10 -131.47 160.06 36.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.108 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t -131.73 -162.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.0 111.197 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.24 152.08 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.237 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -39.3 -45.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.146 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.35 129.22 9.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.23 -0.748 . . . . 75.0 111.23 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.2 mtt -96.9 18.4 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 50.0 111.227 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -70.57 165.0 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.153 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -68.76 149.96 48.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.215 -176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -161.73 159.89 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.187 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -121.29 130.11 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.411 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 93.7 m-85 -124.94 111.53 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 50.0 111.228 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.5 p -121.23 -33.33 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.196 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.54 146.32 49.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.225 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.48 135.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.201 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -158.05 146.57 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.26 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.25 -32.44 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.158 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -69.98 -15.03 62.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -90.59 153.9 45.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.254 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.13 128.0 21.23 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.77 1.647 . . . . 50.0 111.183 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.61 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.264 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -55.12 -49.56 71.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.224 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.84 -33.33 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.24 -45.35 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.268 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.52 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.228 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 94.1 mt -59.98 -42.83 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.83 -38.36 72.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.193 175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.8 -21.37 59.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.239 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.51 121.64 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.131 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.9 125.15 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.146 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.29 -24.13 8.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.163 -0.775 . . . . 50.0 111.163 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.92 125.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 50.0 111.252 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.98 -57.19 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.19 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.5 p -146.5 152.37 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.238 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 87.7 mt -125.81 135.99 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.219 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -122.98 127.45 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.155 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -101.19 126.06 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.227 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.7 p -143.68 134.03 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.28 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.1 ttm 62.68 -124.89 0.66 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.18 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -120.56 31.09 6.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 49.0 p90 -142.07 161.84 36.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.202 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 mm -117.13 132.22 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 50.0 111.233 -170.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -106.3 114.01 27.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.243 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.92 124.94 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.24 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -111.02 126.82 55.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.174 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.92 179.71 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.274 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -83.25 160.37 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.238 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.29 -40.56 97.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 50.0 111.213 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.97 -40.51 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.239 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.42 159.62 12.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.153 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.82 153.8 46.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -71.04 -19.93 62.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.156 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.1 -37.5 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 111.202 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.8 m -87.23 -50.98 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.229 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.83 -46.78 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.186 -168.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 9.1 tt -58.58 -52.87 71.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.212 -165.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 24.2 Cg_endo -60.98 -35.58 87.05 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.757 1.638 . . . . 50.0 111.179 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.2 -44.37 79.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.137 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 61.0 t -61.51 -44.7 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.189 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -55.13 -42.11 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.145 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.36 79.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.187 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.7 t -52.2 -47.18 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -79.03 -33.51 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.193 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.22 60.03 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.234 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.73 -26.55 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.183 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.18 -34.47 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 75.0 111.169 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -101.78 -5.51 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.225 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -94.35 -54.12 3.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.173 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -116.42 170.34 8.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 75.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -71.21 168.84 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.205 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -66.67 134.49 52.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.11 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.138 -0.483 . . . . 75.0 111.203 -179.072 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.83 0.347 . . . . 75.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -150.38 138.35 20.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.174 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.13 132.2 32.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.161 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.0 mt -104.99 -48.58 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.215 164.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -163.62 135.04 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.141 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -111.64 133.12 58.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.245 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.8 p -133.58 164.28 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.223 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.81 168.37 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.209 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 21.8 p -128.17 168.95 13.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.147 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 73.9 Cg_exo -53.86 -29.12 51.65 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.683 1.589 . . . . 50.0 111.247 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -93.37 111.56 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.117 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -51.71 -37.51 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.192 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.79 -11.4 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.157 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -120.43 138.22 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.218 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mtp -129.8 155.09 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.2 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -108.59 131.07 55.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.18 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -116.04 115.48 49.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.199 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -90.02 122.67 33.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.223 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.62 155.45 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.204 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.3 p -83.02 -52.14 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.258 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -99.05 158.12 15.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 75.0 111.259 169.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.403 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 9.3 t -137.65 -164.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.301 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.25 152.04 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 75.0 111.223 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -39.69 -46.68 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.208 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 130.99 10.38 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.205 -0.758 . . . . 75.0 111.205 168.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.403 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 61.0 mtt -92.59 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 50.0 111.235 -177.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p -94.77 167.22 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.0 111.145 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 91.5 p -80.09 144.96 32.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 50.0 111.158 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -167.23 156.53 10.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.179 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.9 m -120.84 127.11 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.17 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.97 144.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.143 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.5 p -123.18 -25.14 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.23 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.93 154.64 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.175 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -65.59 139.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -158.24 157.51 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.297 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -76.54 -13.28 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.195 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.2 p -74.62 -14.4 60.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.169 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.96 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.18 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.19 144.97 21.49 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.698 1.598 . . . . 50.0 111.175 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.1 -39.1 55.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.165 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.51 -36.41 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.169 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mm -80.49 -40.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.166 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -65.56 -46.28 80.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.213 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.79 -47.12 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.155 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.31 -44.56 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.269 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 54' ' ' ILE . 80.9 mt -56.9 -37.92 72.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.14 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.76 -21.38 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.265 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.82 123.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 50.0 111.202 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.18 125.86 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 50.0 111.228 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.7 -27.64 7.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.306 -0.717 . . . . 50.0 111.306 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.34 128.6 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 50.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.52 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.235 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -154.67 157.61 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.113 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.4 HD12 ' HG ' ' A' ' 46' ' ' LEU . 76.2 mt -128.87 128.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.228 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.21 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.9 t-80 -111.56 134.66 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.175 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -153.99 131.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.236 172.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm 61.64 -124.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.205 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -117.42 34.31 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 51.7 p90 -149.96 155.46 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.231 175.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.71 137.79 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.234 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -105.0 110.42 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.149 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.19 127.7 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.247 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -127.22 145.8 50.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.147 -175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -110.04 -179.92 3.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.224 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -84.49 165.5 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.245 172.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.48 -40.13 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.163 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.75 -40.22 79.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 158.12 21.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.158 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.37 151.73 47.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -70.09 -23.4 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.267 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -40.2 64.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 75.0 111.174 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.7 m -85.97 -50.43 7.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 50.0 111.239 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.82 -49.57 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.178 -166.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.6 tp -62.72 -47.26 88.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.191 -163.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.5 Cg_exo -48.86 -44.03 33.22 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.738 1.625 . . . . 50.0 111.247 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.63 -42.51 77.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.134 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.48 -53.57 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.243 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.78 -40.64 76.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.316 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.7 -41.24 77.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 50.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.2 -44.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.15 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -76.93 -35.14 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.201 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -99.21 66.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.228 -175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.85 4.09 54.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 75.0 111.224 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.0 0.58 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.188 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -79.43 145.23 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.2 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -131.49 -4.91 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.212 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -127.32 4.61 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.172 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -120.27 169.66 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.132 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -157.43 164.32 37.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 75.0 111.224 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.5 m80 . . . . . 0 C--O 1.201 -1.478 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.21 -178.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.778 0.323 . . . . 75.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -132.27 129.3 39.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.0 111.214 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' HG3' ' A' ' 79' ' ' GLU . 17.4 tt -63.32 143.07 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.222 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.6 mt -105.54 -53.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.202 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -160.34 165.78 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.19 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.88 124.71 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.219 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.8 p -112.99 160.8 17.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -90.36 168.67 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.228 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.453 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.1 p -133.37 166.91 25.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.287 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.8 Cg_exo -54.85 -30.86 70.15 Favored 'Trans proline' 0 C--N 1.327 -0.578 0 C-N-CA 121.761 1.641 . . . . 50.0 111.223 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -101.83 110.3 22.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.287 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -67.82 -14.28 62.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.216 -171.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -70.32 -20.39 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 t -131.86 149.96 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.222 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.2 mtp -126.33 160.29 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.153 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -107.44 127.58 53.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.175 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.3 mt -116.62 121.25 67.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.21 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.9 m -95.13 127.03 40.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.172 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -113.48 155.98 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.224 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -77.3 -52.53 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 50.0 111.22 175.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -112.04 174.32 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 75.0 111.152 166.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 11.3 t -136.97 -167.82 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.195 -170.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -53.75 156.76 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.0 111.243 171.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HG3' ' ND1' ' A' ' 89' ' ' HIS . 37.6 tt0 -38.57 -48.88 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.248 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.61 142.62 16.4 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.226 -0.749 . . . . 75.0 111.226 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.427 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 60.9 mtt -93.78 41.28 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 50.0 111.147 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 p -99.6 164.94 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.152 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -70.1 154.59 41.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.13 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -162.87 154.68 18.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.263 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -119.97 128.68 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.173 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -123.93 105.05 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.232 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.1 p -119.11 -42.74 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.119 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.43 139.72 50.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 75.0 111.226 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.93 123.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -137.53 161.07 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.27 -30.34 64.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.209 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.5 p -65.62 -17.83 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.152 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -89.99 149.31 41.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 75.0 111.189 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.7 Cg_exo -51.47 135.54 47.53 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.705 1.603 . . . . 50.0 111.238 174.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.83 -44.78 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.188 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HB2' HG13 ' A' ' 81' ' ' VAL . 43.5 p90 -71.94 -24.63 61.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.207 -176.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 39' ' ' PRO . 30.9 mm -71.78 -34.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.153 169.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.22 -42.29 99.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.231 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.91 -48.69 72.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.211 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.32 -45.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.16 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.99 -37.58 77.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.2 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.96 -18.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.171 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.01 125.03 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.107 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 126.41 27.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 50.0 111.278 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.55 -22.4 24.33 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.222 -0.751 . . . . 50.0 111.222 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.4 t -76.34 125.04 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 50.0 111.197 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -99.67 -51.56 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.222 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -146.85 132.74 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.186 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mm -113.16 117.97 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -113.62 126.81 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.171 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.0 136.3 40.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.166 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.22 131.43 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.197 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 54.51 -105.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 75.0 111.219 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -135.76 32.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.247 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -149.98 159.09 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.124 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.05 136.04 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.228 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -100.55 111.79 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.062 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.4 t -104.55 115.08 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.203 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -111.45 122.84 48.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.214 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -99.95 -179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.06 144.94 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 50.0 111.213 167.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.55 -35.41 80.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.188 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.48 -40.99 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.212 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 167.99 6.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -123.94 152.39 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.192 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -70.61 -23.07 62.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.19 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.43 -39.89 64.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.235 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.23 -50.41 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.157 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.99 -50.11 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.145 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 29.7 tp -64.54 -45.49 76.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 50.0 111.145 -161.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.0 Cg_exo -51.02 -43.86 45.52 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.821 1.681 . . . . 50.0 111.17 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.05 -48.01 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.238 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.89 -45.07 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.191 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HD13 ' A' ' 3' ' ' ILE . 86.9 tt0 -54.4 -44.2 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.275 176.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.0 -38.11 67.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.493 . . . . 50.0 111.135 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 41' ' ' PHE . 74.2 t -61.53 -39.27 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.292 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -79.7 4.3 16.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.194 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -102.05 8.76 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.0 111.274 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.41 -21.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.202 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 58.39 45.45 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 75.0 111.233 -173.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CE1' ' O ' ' A' ' 91' ' ' HIS . 66.8 t-80 -68.91 141.95 54.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 75.0 111.257 -177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -49.49 135.13 18.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 75.0 111.112 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.8 -46.17 74.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 75.0 111.271 -175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.405 ' ND1' ' HG3' ' A' ' 24' ' ' GLU . 97.2 m-70 -85.09 -174.41 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 75.0 111.161 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 64.85 -155.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.0 111.204 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.536 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 97.0 m-70 . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.239 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.782 0.325 . . . . 75.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -149.79 126.18 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.203 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 tt -92.17 149.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.245 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -102.73 -55.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 50.0 111.196 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -169.0 165.47 11.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.174 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.7 mt -121.51 126.25 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.23 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.7 t -121.75 133.94 54.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.214 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -63.78 160.17 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.228 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 36.9 p -125.53 165.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.202 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 50.2 Cg_exo -56.74 -25.0 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.602 1.534 . . . . 50.0 111.113 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -82.07 108.93 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.163 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.506 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 17.8 t-160 -59.47 136.84 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.206 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 74.1 m-20 77.81 12.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.139 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -135.34 136.21 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.301 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 91.2 mtp -129.96 155.07 46.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.234 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -106.7 130.36 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.124 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -106.56 121.23 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 50.0 111.186 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.0 m -100.38 120.09 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.165 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -108.3 139.22 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.193 -176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -74.9 -41.4 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.239 167.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.21 121.88 27.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.244 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -99.11 -164.12 1.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 75.0 111.195 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -53.29 142.04 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.263 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -43.13 -45.53 5.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.93 117.18 5.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.124 -0.791 . . . . 75.0 111.124 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.26 42.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.314 . . . . 50.0 111.14 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.2 p -85.0 164.95 17.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.217 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -78.45 128.77 34.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.132 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -143.18 153.43 42.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.187 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.3 m -114.16 129.88 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.202 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -122.76 110.49 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.4 p -121.11 -26.6 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 50.0 111.165 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 89.1 tttt -135.07 130.12 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.172 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -50.55 132.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 50.0 111.089 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -159.82 148.15 17.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.211 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.97 -29.86 70.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.101 -175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -69.94 -13.96 62.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.146 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 33' ' ' LYS . 66.1 mt-30 -90.06 154.62 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.0 111.178 -178.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -48.38 132.68 24.6 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.736 1.624 . . . . 50.0 111.085 171.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.65 -42.19 61.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.22 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -54.7 -50.04 69.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.201 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mm -57.83 -39.49 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.238 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -64.04 -49.01 74.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 50.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -56.48 -46.04 80.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.245 175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 78' ' ' VAL . 96.0 mt -62.08 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.97 -36.95 75.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.22 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -72.73 -21.25 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.098 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.98 119.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.216 173.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.87 124.81 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.167 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.11 -28.65 6.52 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 50.0 111.207 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.06 126.82 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 50.0 111.193 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.0 -59.64 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.183 -174.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -151.97 151.56 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.178 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -125.69 139.57 50.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.264 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -124.72 122.48 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.304 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -115.29 112.01 21.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.286 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -133.35 135.03 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.172 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.7 mtp 57.25 -123.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.263 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -115.84 27.52 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.0 111.194 -172.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 54.5 p90 -147.35 155.21 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.116 177.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -125.96 129.86 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.201 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.9 t -100.34 119.67 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.151 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.5 t -118.12 127.83 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.215 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.72 146.8 50.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.215 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.02 179.78 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.261 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.62 162.94 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.215 172.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.64 -39.35 93.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 50.0 111.18 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.25 -40.26 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.256 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.32 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.29 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -127.6 152.74 47.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.263 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -69.97 -21.22 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.232 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.3 -37.77 70.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.15 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.9 m -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.21 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.62 -50.01 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 50.0 111.244 -167.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.5 tp -62.82 -47.05 88.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 50.0 111.229 -162.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.6 Cg_exo -48.81 -44.01 33.03 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.632 1.555 . . . . 50.0 111.18 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.11 -44.51 68.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.142 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 45' ' ' ILE . 71.2 t -56.12 -50.67 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.212 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.69 -42.78 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.244 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.96 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.134 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.91 -45.55 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.0 111.294 -176.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.75 -13.53 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.249 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -93.25 5.91 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.193 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.23 -23.21 57.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.282 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 58.5 40.31 24.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.2 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -82.78 144.24 30.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 75.0 111.188 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.87 129.31 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 75.0 111.142 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -131.37 160.03 36.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.188 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -158.72 173.9 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.189 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -70.39 167.79 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.16 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.4 m170 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.249 -0.432 . . . . 75.0 111.22 178.102 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.842 0.353 . . . . 75.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -162.89 133.79 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.167 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.05 129.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.178 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.1 mt -100.79 -45.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.194 164.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -162.19 130.36 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.191 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.7 mt -108.42 125.27 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.144 173.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.3 p -133.29 171.94 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.164 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.58 169.84 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.151 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 31.8 p -128.09 166.42 24.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.107 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 60.5 Cg_exo -55.12 -29.39 65.61 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.662 1.575 . . . . 50.0 111.25 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -97.65 139.11 34.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.208 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 51.2 t-80 -85.71 157.27 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.198 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 85.3 m-20 73.78 13.63 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 t -149.85 138.8 21.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.29 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mtp -129.7 159.71 35.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.186 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -108.83 130.62 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.182 -174.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.63 104.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.254 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.1 m -78.6 125.63 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.15 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -113.59 153.7 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.115 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -73.7 -51.28 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.226 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -144.98 109.47 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.146 176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.5 t -89.98 -159.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 75.0 111.21 -174.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -56.51 168.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.236 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -48.47 -49.45 35.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 75.0 111.207 -173.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.63 145.8 17.93 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.171 -0.772 . . . . 75.0 111.171 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mmt -94.24 10.21 34.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 50.0 111.201 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 166.12 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.181 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -73.9 153.38 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 -176.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -163.72 154.64 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.132 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.6 m -117.54 127.1 53.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.229 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 61.1 m-85 -124.95 105.96 9.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.184 -176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.9 p -120.74 -22.98 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.165 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -116.58 155.07 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.0 111.249 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -92.11 125.06 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.252 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -169.59 174.98 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.172 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.83 -30.99 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.247 -173.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 91' ' ' HIS . 84.2 p -72.89 -14.64 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.151 -174.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.646 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 15.5 mp0 -89.88 145.58 33.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.253 173.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.44 137.18 48.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.729 1.619 . . . . 50.0 111.167 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.26 -54.9 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.184 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -53.6 -45.69 70.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.197 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mm -57.56 -39.25 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.241 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -62.31 -46.16 89.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.15 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.85 -48.32 78.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.161 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.55 -41.14 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.217 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.29 -39.0 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.138 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.11 -19.56 58.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.163 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.42 123.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.176 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.19 125.05 22.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.16 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.32 -26.9 9.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 50.0 111.182 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -74.1 125.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 50.0 111.091 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -95.01 -57.72 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.248 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -148.21 154.0 39.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.132 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.03 138.52 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.278 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -124.73 127.68 47.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.228 172.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -106.51 141.59 37.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.215 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 58' ' ' MET . 8.2 p -161.94 145.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.222 172.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.5 mmm 59.15 -123.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.249 -175.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.37 42.38 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.253 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.84 163.02 40.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.294 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.9 mt -117.13 134.77 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.264 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -104.92 120.25 40.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.215 174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.91 122.35 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.214 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -112.14 122.11 46.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.178 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -98.96 179.94 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.182 -175.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.4 153.5 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.254 170.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.86 -37.07 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 50.0 111.206 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.38 -40.45 77.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.199 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.83 158.49 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.245 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.39 149.92 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.226 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.164 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.05 -34.91 70.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.0 111.131 175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -81.96 -49.93 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.158 175.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.1 -50.3 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.133 -167.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 36.5 mt -62.02 -46.4 91.75 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.438 . . . . 50.0 111.173 -161.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 94.1 Cg_exo -47.59 -45.81 22.43 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.759 1.639 . . . . 50.0 111.206 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.61 -46.06 60.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.216 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.61 -45.38 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.242 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.6 -43.75 72.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.205 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.63 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 50.0 111.168 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.63 -47.43 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.166 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -81.66 -38.62 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.244 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.97 -29.81 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.176 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 51.64 39.82 25.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 75.0 111.238 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -83.49 178.48 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.157 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -50.13 130.67 22.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -143.7 130.05 19.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.156 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -157.08 170.77 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 75.0 111.128 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -155.01 165.09 37.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.138 -0.483 . . . . 75.0 111.163 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 37' ' ' SER . 79.9 m80 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.293 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 96.1 mtp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.754 0.312 . . . . 75.0 111.252 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.1 130.0 28.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.155 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.0 147.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.223 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 99.3 mt -105.03 -54.99 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.172 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -164.93 162.3 20.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.23 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.61 124.34 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 50.0 111.169 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -109.45 162.88 13.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.221 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -91.77 168.59 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.231 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 17.8 p -133.35 167.52 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.215 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 76.4 Cg_exo -54.12 -31.6 65.88 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.662 1.575 . . . . 50.0 111.266 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -100.69 110.1 22.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.194 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -69.68 -11.37 60.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.13 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.21 -17.59 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.5 t -132.48 146.92 52.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.219 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.57 155.32 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.221 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -105.81 126.73 52.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.143 -174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.3 mt -108.76 119.92 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.216 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.3 m -95.62 123.2 39.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -110.68 152.55 26.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.214 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -81.12 -41.12 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.196 170.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 97.6 mt-10 -129.87 144.63 51.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.0 111.204 171.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 m -110.53 -176.1 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.0 111.214 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -53.43 161.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.184 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -41.03 -53.17 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.0 111.222 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.34 134.66 12.78 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.162 -0.775 . . . . 75.0 111.162 174.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -104.95 20.0 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 50.0 111.153 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -77.46 165.01 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.206 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 86.3 p -74.61 147.26 41.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.165 -176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -164.64 154.98 14.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.164 170.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -119.18 130.03 55.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.166 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -126.11 112.58 16.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.235 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -117.4 -24.94 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.276 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.92 141.9 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.0 111.23 -177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -63.06 127.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.184 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -155.06 171.7 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.183 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -78.28 -9.99 59.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.194 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -73.96 -20.45 60.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.161 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -94.55 154.03 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.0 111.132 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -50.86 145.07 25.13 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.718 1.612 . . . . 50.0 111.176 166.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.13 -44.81 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.21 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 38.5 p90 -74.5 -19.91 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.226 -173.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -76.56 -33.57 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.149 169.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.89 -39.71 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.176 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.4 m-20 -52.73 -48.66 66.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.425 . . . . 50.0 111.145 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.57 -46.49 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.194 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.65 -38.2 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.228 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -75.64 -20.79 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.171 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' ASP . 73.8 t -63.05 120.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.205 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 124.74 19.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 50.0 111.154 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.09 -30.96 4.87 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 50.0 111.188 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.97 121.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 50.0 111.186 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -101.78 -50.07 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.253 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -145.15 134.84 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 50.0 111.156 -174.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -118.76 121.72 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.122 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -115.36 125.25 52.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.222 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' SER . 22.3 t-160 -116.48 120.21 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.242 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 58' ' ' MET . 11.2 p -147.16 140.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.206 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.423 ' HG2' HG22 ' A' ' 57' ' ' VAL . 99.7 mmm 58.03 -122.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.233 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.31 40.03 3.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -151.78 156.07 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.194 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.95 132.44 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 50.0 111.234 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 t -104.92 122.78 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.205 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -112.86 120.04 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.185 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -111.21 130.81 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.17 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -100.06 -179.96 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.207 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.19 160.59 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.24 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.01 -39.22 93.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.183 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.11 -41.71 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.169 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.56 166.11 21.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.253 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.6 160.0 30.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.173 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -72.51 -20.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -52.8 -40.09 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.157 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.5 m -85.77 -50.88 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.224 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.78 -49.71 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.215 -167.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 62.4 tp -63.96 -46.37 80.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.22 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 80.0 Cg_exo -49.82 -43.19 41.82 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.775 1.65 . . . . 50.0 111.173 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.69 -47.41 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.177 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.87 -49.48 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.206 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.67 -45.51 73.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.192 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.53 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.2 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 41' ' ' PHE . 47.0 t -59.42 -42.3 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.187 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -84.95 13.71 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.125 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -105.41 0.08 26.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.23 165.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.3 mt -68.65 -38.36 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 75.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 58.48 34.92 24.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 75.0 111.134 -172.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -104.98 65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.0 111.223 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -52.86 134.41 37.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.132 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -60.47 158.86 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.238 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -85.02 174.89 9.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -121.3 174.47 6.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.203 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.146 -179.328 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.896 0.379 . . . . 75.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -127.92 141.84 51.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.245 -174.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.415 ' HA ' HD23 ' A' ' 19' ' ' LEU . 96.1 mt -73.59 134.75 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.196 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -103.42 -47.89 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.246 170.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -161.51 130.21 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -105.01 130.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.164 175.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -136.96 161.66 35.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.202 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -89.62 169.49 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.212 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 20.5 p -127.84 167.25 19.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.196 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.9 Cg_exo -53.62 -32.28 63.82 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.773 1.648 . . . . 50.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -102.99 109.98 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.197 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -65.46 -15.55 62.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.185 -171.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.02 -27.44 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.236 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 t -122.62 149.87 43.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.227 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.7 ttm -127.11 143.96 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.257 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.52 129.91 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.175 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.08 108.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.189 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.1 m -81.55 122.29 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.173 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 3' ' ' ILE . 79.2 mt -114.2 159.84 19.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.135 -174.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.9 p -79.99 -51.21 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.24 167.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -109.59 129.74 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 75.0 111.125 164.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -96.98 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.0 111.219 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -41.55 148.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 75.0 111.155 158.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -41.46 -58.48 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.19 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.43 157.31 38.26 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.217 -0.753 . . . . 75.0 111.217 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.7 mmt -105.78 14.94 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 50.0 111.212 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -85.09 171.05 12.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.0 111.221 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.1 p -80.0 145.49 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.16 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -166.5 158.16 13.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.237 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.6 m -125.69 130.07 50.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.093 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -128.97 143.47 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.136 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.4 p -124.82 -25.36 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 50.0 111.15 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.6 150.1 41.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.248 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.68 136.76 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.206 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.33 143.95 19.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.216 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.39 -23.7 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.151 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.8 p -69.92 -14.93 62.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.111 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -94.77 152.38 39.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.0 111.181 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.77 138.14 26.33 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.684 1.59 . . . . 50.0 111.254 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.81 -38.49 34.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.132 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -53.57 -53.51 50.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.187 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.49 -33.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 50.0 111.195 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.06 -46.8 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.215 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.07 -45.49 83.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.238 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.416 HG23 HG22 ' A' ' 78' ' ' VAL . 92.2 mt -59.57 -41.7 85.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.183 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.46 -38.94 75.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.17 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -76.74 -17.31 59.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.213 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.18 124.04 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.195 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.7 124.86 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.58 -29.9 7.57 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.284 -0.726 . . . . 50.0 111.284 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.99 126.49 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 50.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.99 -50.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -146.13 154.71 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.176 -174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.04 124.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.144 176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -110.73 127.97 55.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 50.0 111.065 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -109.36 140.35 43.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.314 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.12 145.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.156 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.2 ttm 55.01 -105.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.18 -175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -141.71 33.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.275 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -145.32 164.94 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 50.0 111.227 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -113.4 134.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.227 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.7 t -107.67 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 50.0 111.192 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.54 117.58 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.198 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -105.36 119.72 39.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.227 -176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -99.69 -179.95 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.229 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.05 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.209 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.6 -40.44 91.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 50.0 111.122 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.84 -41.43 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.218 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.96 161.73 12.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.082 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -119.14 153.56 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.23 -21.29 63.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.256 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.03 -36.05 70.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.3 m -86.25 -50.42 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.136 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.04 -50.33 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.241 -167.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 57.0 tp -63.83 -46.33 81.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.181 -161.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 88.3 Cg_exo -48.67 -44.15 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.759 1.639 . . . . 50.0 111.102 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 -45.96 62.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.182 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 HG23 ' A' ' 45' ' ' ILE . 69.9 t -60.68 -48.58 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.225 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.89 -42.5 72.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.143 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.93 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 50.0 111.187 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.1 -47.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.21 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -69.77 -16.92 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.236 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -87.27 -1.41 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.175 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.5 mt -82.49 144.65 30.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.158 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -96.97 3.39 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.195 173.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -85.13 68.42 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 75.0 111.165 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -75.04 125.18 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.0 111.222 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -135.09 68.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.154 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -155.31 135.82 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.223 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -158.38 167.09 30.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 75.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.172 179.205 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' HB2' ' A' ' 21' ' ' GLU . 98.5 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.77 0.319 . . . . 75.0 111.174 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -136.73 131.55 33.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 75.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.7 mt -72.71 135.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.197 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.64 -44.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.215 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -150.88 127.86 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.201 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.69 132.72 59.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.264 171.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -136.97 168.16 20.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.239 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -90.24 169.89 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.206 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.4 p -129.49 167.96 18.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.19 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 75.7 Cg_exo -53.81 -30.53 57.67 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.706 1.604 . . . . 50.0 111.252 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -100.18 110.02 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.186 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -67.28 -14.51 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 75.0 111.242 -170.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.5 -23.08 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.219 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -125.44 149.87 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.171 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.5 mtp -125.7 158.63 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.241 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -105.89 125.65 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.172 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.76 111.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.247 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 96.9 m -99.37 125.08 44.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.221 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.33 169.86 8.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 50.0 111.134 -176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -83.01 -52.9 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.183 173.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 97.5 mt-10 -100.05 158.22 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.257 168.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -137.5 -163.98 1.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 75.0 111.168 -173.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -58.97 141.06 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.209 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -40.26 -49.48 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.216 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.9 125.38 8.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.207 -0.757 . . . . 75.0 111.207 166.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.3 mtt -97.67 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 50.0 111.203 -169.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p -90.45 165.88 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.249 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -76.48 120.89 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 50.0 111.277 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 33.7 m-20 -144.46 130.19 19.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.149 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.493 ' HG1' ' HD1' ' A' ' 55' ' ' PHE . 90.4 m -109.88 125.18 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 29' ' ' ASP . 96.8 m-85 -131.92 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.224 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.5 p -116.73 -26.74 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.222 170.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.64 160.18 20.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.149 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 46' ' ' LEU . 32.3 m -69.04 158.71 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.19 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -165.05 159.82 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.222 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -73.37 -19.86 60.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.233 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.2 p -75.37 -14.93 60.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.216 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.36 153.82 38.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.223 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.59 141.88 32.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.81 1.673 . . . . 50.0 111.137 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.14 -41.46 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.223 170.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -55.08 -50.06 70.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.131 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.27 -32.68 59.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.148 -174.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.0 -49.93 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.192 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.92 -46.65 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.113 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.418 HG23 HG22 ' A' ' 78' ' ' VAL . 84.6 mt -60.25 -43.8 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.149 -176.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' A' ' 34' ' ' VAL . 71.1 mt -59.9 -36.71 77.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.328 -0.396 . . . . 50.0 111.197 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.36 -23.38 60.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.076 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.21 124.84 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.193 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.91 130.01 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.196 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.51 -30.53 6.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.244 -0.743 . . . . 50.0 111.244 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.95 125.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 50.0 111.116 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.11 -58.63 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.214 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 91.2 p -147.66 154.99 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.142 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -133.1 130.82 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.185 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HD1' ' HG1' ' A' ' 30' ' ' THR . 45.9 t80 -113.9 127.38 55.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.207 172.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -108.81 139.19 43.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.223 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 7.2 p -158.63 138.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.192 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp 55.18 -116.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.225 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -122.98 28.65 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 75.0 111.189 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 52.6 p90 -149.7 158.97 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.154 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.07 136.49 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.166 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -100.94 109.97 21.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.205 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.72 119.11 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.186 -175.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -111.86 119.98 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.143 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -98.73 165.39 11.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.252 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.09 155.33 40.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 50.0 111.267 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -56.53 -39.29 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.187 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.76 -40.78 75.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.252 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.41 147.12 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 50.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -115.76 148.38 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.203 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -69.91 -22.92 63.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.153 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -56.27 -37.37 69.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 75.0 111.271 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -87.36 -50.23 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.45 -50.55 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.114 -166.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 68.4 tp -62.53 -46.87 89.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 50.0 111.112 -163.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 82.9 Cg_exo -49.48 -44.43 34.9 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.665 1.577 . . . . 50.0 111.247 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.27 -46.3 64.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.26 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG23 ' A' ' 45' ' ' ILE . 74.0 t -57.36 -51.5 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 50.0 111.292 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.12 -43.86 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.246 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.23 -41.76 76.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.226 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 45' ' ' ILE . 54.0 t -58.24 -49.01 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.174 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -63.05 -27.58 69.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.245 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.49 -1.03 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.0 111.145 -175.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.72 -36.52 84.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 75.0 111.179 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 54.86 37.72 29.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.236 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -110.5 -3.16 16.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.166 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -72.1 119.16 15.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.176 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -70.64 129.81 40.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.094 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -159.0 164.81 35.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.195 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -122.46 -18.62 6.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.225 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.187 -0.46 . . . . 75.0 111.173 -179.101 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 tpp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 75.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -153.5 117.87 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.242 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -63.48 147.68 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.19 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -105.02 -55.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.0 111.14 170.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -162.84 169.49 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 130.89 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.255 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.2 t -116.5 133.51 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.233 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.07 171.36 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.217 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.454 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 19.7 p -134.97 166.84 26.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.194 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 54.2 Cg_exo -54.9 -28.79 60.55 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.586 1.524 . . . . 50.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -96.7 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 75.0 111.236 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -50.19 -39.89 45.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 75.0 111.144 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.94 -22.64 67.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.152 -164.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 t -124.35 146.35 48.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.256 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.9 mtp -133.62 155.02 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.146 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -108.95 130.34 55.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.247 -174.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.08 125.75 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.3 m -93.56 130.09 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.291 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.3 mt -106.6 153.16 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.17 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.8 p -79.06 -16.32 56.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.151 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -70.56 148.56 48.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.171 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -80.09 159.96 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.124 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -77.54 -19.92 54.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.0 111.227 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -70.07 120.06 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.0 111.132 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.78 3.45 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.184 -0.767 . . . . 75.0 111.184 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.4 138.55 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 50.0 111.2 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p -116.29 164.99 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.194 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -78.96 158.16 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.234 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -167.01 158.76 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.172 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.4 m -118.53 130.1 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.92 107.13 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 50.0 111.214 -176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.8 p -115.08 -46.84 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.213 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.76 143.79 44.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.195 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.12 128.96 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.172 -176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -148.37 146.3 28.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.167 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.175 -175.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.3 p -69.09 -14.84 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.185 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -89.44 156.35 48.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.223 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.8 Cg_exo -54.91 145.52 61.89 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.706 1.604 . . . . 50.0 111.174 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.19 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.208 171.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -73.07 -7.73 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.26 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 39' ' ' PRO . 32.2 mm -89.27 -42.23 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.229 167.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.27 -45.41 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 50.0 111.241 -175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -54.69 -49.18 71.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.47 -42.85 90.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.256 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -53.85 -38.19 64.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.228 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.78 -20.34 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 50.0 111.114 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.68 124.76 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.196 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.57 127.7 33.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.324 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.48 -28.68 8.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.282 -0.727 . . . . 50.0 111.282 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.33 128.59 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 50.0 111.217 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.77 -57.03 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.226 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -158.67 155.51 28.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.225 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -124.49 139.83 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 50.0 111.176 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -126.65 131.21 51.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.151 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.41 140.61 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.157 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.04 135.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.229 172.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtt 54.4 -104.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.266 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -132.61 25.09 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 75.0 111.236 -167.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.75 161.04 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.187 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -122.46 133.65 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.186 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.7 t -103.94 114.43 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.8 129.13 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.137 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.09 146.05 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.174 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -120.76 170.06 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.251 -175.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -74.54 155.25 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.2 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.21 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.48 -40.45 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.267 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.12 154.83 33.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.172 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -120.07 149.89 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.261 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -70.06 -19.78 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.184 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.68 -39.19 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.181 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.2 m -86.39 -50.2 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.148 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.1 t -68.7 -49.07 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 50.0 111.32 -167.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 51.2 tp -63.03 -46.4 86.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 50.0 111.211 -162.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 81.3 Cg_exo -48.7 -43.25 34.77 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.762 1.642 . . . . 50.0 111.182 177.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.85 -44.41 69.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.229 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.38 -54.14 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.48 -45.38 76.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.252 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.38 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.152 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.55 -40.0 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.157 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.98 4.16 17.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 50.0 111.245 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.69 41.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.245 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.94 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 75.0 111.211 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 55.04 43.11 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.278 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -107.9 149.98 27.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 75.0 111.22 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.43 -21.8 57.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 75.0 111.131 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -102.4 177.08 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.229 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -167.27 164.21 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.262 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -77.26 143.37 38.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 75.0 111.159 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.235 173.155 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.85 0.357 . . . . 75.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.47 125.15 20.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.0 111.184 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.91 129.98 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 50.0 111.187 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -94.79 -45.03 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.181 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -162.35 139.8 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.143 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -111.26 115.25 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.192 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.8 p -113.86 165.42 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.122 -174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.42 169.74 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 50.0 111.276 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 18.9 p -130.65 168.27 17.74 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.207 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 72.4 Cg_exo -53.75 -30.15 55.31 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.652 1.568 . . . . 50.0 111.241 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -101.97 109.9 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.157 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -67.05 -14.55 63.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.0 111.189 -170.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.78 -20.52 62.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.197 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -126.3 147.83 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.188 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.2 mtp -126.7 158.91 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.18 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -108.59 123.02 48.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.279 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.45 109.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.222 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -88.81 126.84 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 50.0 111.14 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.36 153.3 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 50.0 111.171 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.5 p -73.07 -37.56 66.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.233 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -150.55 122.89 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 75.0 111.209 170.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t -90.48 -160.42 0.7 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.248 -0.433 . . . . 75.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -58.44 166.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 75.0 111.226 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -41.05 -53.59 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 75.0 111.231 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.94 133.7 12.02 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.231 -0.748 . . . . 75.0 111.231 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.3 mmt -104.26 8.34 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 50.0 111.283 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.8 p -74.31 163.77 27.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.0 111.187 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -75.51 149.75 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.194 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -162.16 159.18 25.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.209 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -121.28 128.62 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.241 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 83.2 m-85 -122.23 138.06 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.147 -177.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -125.1 -71.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.134 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.69 150.13 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.239 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.5 132.77 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.197 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -156.72 159.88 38.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.151 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -73.95 -31.43 63.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.304 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.4 p -65.21 -17.9 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.178 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -89.99 151.2 44.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.138 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.12 136.12 37.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.708 1.605 . . . . 50.0 111.207 170.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.33 -43.63 64.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.232 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -66.69 -31.99 73.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.0 111.176 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.17 -38.54 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.194 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.53 -44.1 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.224 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.59 -47.45 76.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 50.0 111.143 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.98 -46.03 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.216 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.57 -36.35 78.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.13 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -73.15 -18.61 61.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.232 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.53 120.17 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.147 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.61 124.97 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 50.0 111.216 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.59 -20.85 17.6 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.198 -0.761 . . . . 50.0 111.198 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.13 125.55 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 50.0 111.108 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -95.18 -59.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 50.0 111.171 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.3 p -144.74 156.44 44.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 50.0 111.222 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 74.9 mt -127.23 136.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 50.0 111.236 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -121.22 121.79 38.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.271 167.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -115.32 114.28 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.199 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 8.6 p -141.6 138.7 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.17 -176.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm 64.75 -121.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.0 111.225 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -126.21 39.87 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.248 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 50.3 p90 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.235 174.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mm -114.65 136.79 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.173 -175.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.5 t -102.89 107.3 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.189 168.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.6 t -104.82 118.09 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.159 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -110.74 123.69 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.156 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -97.35 179.95 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.286 -176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.53 158.75 25.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.26 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.92 -39.94 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.175 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -70.04 -40.55 75.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.214 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 158.64 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 50.0 111.169 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -124.22 151.39 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.141 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -70.3 -23.17 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.227 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -41.1 65.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.0 111.141 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.8 m -87.35 -50.96 6.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 50.0 111.194 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.36 -47.68 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.154 -167.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.595 ' N ' ' HD2' ' A' ' 76' ' ' PRO . 64.1 tp -61.46 -52.93 66.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.244 -164.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 75' ' ' LEU . 23.5 Cg_endo -62.47 -36.19 67.26 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 50.0 111.151 -176.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.47 -44.13 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 50.0 111.145 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.78 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.178 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.63 -40.92 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.161 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.38 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.308 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.39 -39.96 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 50.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -91.12 37.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.225 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -109.71 37.6 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 75.0 111.257 170.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.7 mt -84.79 124.63 31.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 75.0 111.236 -172.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.66 -50.15 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.157 172.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -95.78 138.29 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 75.0 111.249 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.04 136.67 45.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.0 111.191 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.81 128.84 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.252 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -93.27 81.94 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.195 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -148.0 129.88 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.206 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.159 -0.473 . . . . 75.0 111.172 -177.105 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 mtm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.792 0.329 . . . . 75.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.39 129.98 27.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.0 111.231 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 82' ' ' PHE . 19.9 tt -65.95 149.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.169 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.28 -45.15 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.173 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -163.24 167.13 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.94 123.7 66.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.221 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -104.98 141.49 36.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.18 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -76.89 162.28 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.167 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 61.8 p -138.03 163.4 48.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.245 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 44.2 Cg_exo -55.9 -27.75 64.72 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.674 1.583 . . . . 50.0 111.197 174.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -94.64 156.44 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.149 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.52 -50.0 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.235 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -73.67 -14.4 61.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.281 -0.418 . . . . 50.0 111.156 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 t -133.74 140.59 47.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.228 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.6 mtp -127.63 173.4 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 50.0 111.277 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -106.6 129.95 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 50.0 111.185 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.88 127.53 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.172 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -95.26 129.79 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 50.0 111.262 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.04 155.12 44.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.169 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.6 p -83.22 -52.47 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.196 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -110.98 159.25 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.155 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 p -122.61 -167.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 75.0 111.221 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -58.23 173.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.207 162.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -39.61 -48.33 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.175 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 176.85 17.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 75.0 111.224 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' A' ' 59' ' ' ASP . 23.9 mmt -98.75 40.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 50.0 111.137 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.9 p -85.01 164.91 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 75.0 111.153 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -88.48 160.3 17.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.24 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -165.64 154.89 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.221 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -119.33 129.3 54.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.199 -176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -124.51 104.99 9.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.204 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -119.42 -30.95 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.237 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -125.21 152.17 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.178 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.25 133.34 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.11 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.53 146.83 19.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 50.0 111.215 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.29 -31.14 71.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.232 -175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -70.12 -13.55 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.212 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.79 152.86 42.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HB2' HG12 ' A' ' 42' ' ' ILE . 53.7 Cg_exo -50.6 137.18 41.4 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.69 1.593 . . . . 50.0 111.097 174.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.15 -47.5 65.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.154 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -70.05 -25.34 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 75.0 111.297 -176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 39' ' ' PRO . 26.4 mm -71.75 -34.05 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 50.0 111.196 171.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.92 -44.64 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 50.0 111.246 172.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.22 -50.05 74.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.24 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 78' ' ' VAL . 15.2 tt -63.74 -34.2 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.216 -174.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.26 -37.39 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 50.0 111.22 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.33 -22.03 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.216 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.34 122.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 50.0 111.248 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.86 128.27 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.23 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.45 -32.64 6.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.226 -0.75 . . . . 50.0 111.226 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.29 125.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 50.0 111.148 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -99.08 -52.25 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.178 -175.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 t -145.7 139.85 26.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.242 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mm -117.75 126.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -123.4 126.68 47.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.309 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -99.9 124.72 45.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.235 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -133.85 131.29 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.21 172.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.3 ttm 54.59 -105.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.206 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.433 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 57.9 p-10 -130.41 24.4 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.134 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.98 165.1 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.167 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.14 127.31 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.19 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -91.98 125.58 36.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.203 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -113.85 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.191 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.71 127.04 53.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.191 176.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -97.25 -179.93 4.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.208 -174.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -84.98 156.86 20.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.206 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.8 -40.03 94.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 50.0 111.201 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.09 -41.56 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.173 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.22 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.204 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.47 156.62 31.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.306 173.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -66.89 -26.32 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 50.0 111.206 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.54 -36.07 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.0 111.227 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.5 m -81.93 -49.13 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.67 -49.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.179 -166.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 33.7 mt -60.59 -46.68 97.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.157 -164.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 95.5 Cg_exo -46.56 -44.65 20.89 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.772 1.648 . . . . 50.0 111.21 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.91 -44.21 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 50.0 111.204 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 45' ' ' ILE . 76.2 t -54.89 -50.62 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.219 176.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.85 -45.62 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.244 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.18 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 50.0 111.188 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.66 -38.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.202 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 3' ' ' ILE . 11.1 m-30 -93.39 21.46 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.204 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -123.02 24.96 8.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.126 170.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.64 -39.88 64.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.208 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 56.7 32.88 21.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.0 111.151 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -115.66 4.09 14.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.26 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.99 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.184 -170.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -53.76 -48.18 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 75.0 111.232 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -151.61 179.95 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 75.0 111.243 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -145.33 139.88 27.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 75.0 111.156 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.207 -178.276 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.836 0.351 . . . . 75.0 111.258 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -85.28 135.36 33.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.14 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 134.76 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.178 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -95.88 -46.17 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 50.0 111.257 171.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -162.16 138.95 8.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 50.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.6 mt -102.58 115.17 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 50.0 111.117 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.1 t -100.02 148.37 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.161 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.94 168.95 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.192 170.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -135.01 159.62 71.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 50.0 111.203 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.17 -35.7 74.34 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 50.0 111.266 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -105.42 111.67 24.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.192 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -88.91 19.63 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 75.0 111.171 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.37 -6.56 59.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 50.0 111.157 165.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -142.66 146.06 34.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.278 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 93.4 mmm -114.74 153.26 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.128 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -109.31 123.89 50.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.249 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.07 112.76 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.199 -177.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.6 m -82.44 126.11 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.254 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.74 153.29 27.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 50.0 111.235 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p -82.67 -52.73 6.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.206 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -121.5 94.15 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.158 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 -163.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.0 111.234 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -47.39 139.39 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.182 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -44.24 -59.71 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.0 111.235 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.85 120.63 7.45 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.267 -0.733 . . . . 75.0 111.267 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 mmt -91.87 55.16 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 50.0 111.248 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.7 p -124.69 174.99 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.0 111.207 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' HIS . 94.5 p -76.4 145.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.123 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -166.92 154.26 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.251 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -123.05 129.96 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.179 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -128.17 118.94 24.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 50.0 111.169 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -121.74 -30.47 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.158 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -110.59 129.35 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.25 -174.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -56.4 124.82 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.254 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -155.08 170.83 20.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.0 111.181 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -75.29 -10.82 59.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 50.0 111.209 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 91' ' ' HIS . 83.4 p -72.8 -20.57 61.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.224 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -97.72 152.38 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.0 111.167 173.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -50.0 145.79 18.52 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.768 1.645 . . . . 50.0 111.187 166.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.94 -44.33 63.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.189 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -74.49 -19.23 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.0 111.229 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.7 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.0 111.267 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.47 -38.49 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 50.0 111.194 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 99.1 m-20 -52.19 -48.6 64.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.27 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.17 -47.0 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 50.0 111.199 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.45 -38.15 73.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.215 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.96 -19.66 57.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.169 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' ASP . 66.1 t -60.13 121.4 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 175.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 111.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 50.0 111.173 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.26 -20.8 5.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.226 -0.749 . . . . 50.0 111.226 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.6 t -77.93 129.44 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 50.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.09 -56.07 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 50.0 111.208 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.3 p -150.45 154.7 38.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.262 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.0 mt -119.51 118.07 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.195 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -115.23 131.33 56.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 50.0 111.263 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' SER . 52.0 t-80 -109.67 140.02 44.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.194 173.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 12.3 p -153.49 140.17 12.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.176 170.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.7 ttm 61.82 -105.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.157 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -141.14 31.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 53.1 p90 -144.9 165.1 29.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.23 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mm -110.32 133.43 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.0 111.152 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.6 t -105.17 109.93 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.235 166.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.39 120.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.193 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -112.28 126.83 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.18 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.26 179.91 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 50.0 111.17 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.39 160.73 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 50.0 111.261 171.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.28 -39.92 92.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.183 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.94 -40.22 75.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.189 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.19 156.17 10.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.152 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -120.34 147.54 44.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.263 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -70.48 -21.86 62.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.252 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.237 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 99.6 m -87.67 -50.7 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.222 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.45 -50.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.173 -164.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 49.4 tp -64.33 -45.37 78.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.169 -162.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 87.3 Cg_exo -50.14 -41.05 50.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.672 1.581 . . . . 50.0 111.27 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.18 -43.03 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.187 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.96 -48.28 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.238 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.63 -40.33 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.361 175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.9 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 50.0 111.181 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.13 -34.42 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.273 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.85 -26.15 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 50.0 111.174 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -97.62 25.9 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.209 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -86.98 -14.87 40.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.0 111.189 168.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 54.11 45.63 27.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 75.0 111.321 -177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -64.77 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.19 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -81.09 -22.66 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.0 111.177 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -129.44 167.08 18.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 75.0 111.269 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -152.67 175.14 13.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.179 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -116.81 156.97 26.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 75.0 111.17 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' SER . 87.1 m-70 . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.773 0.321 . . . . 75.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -133.06 129.87 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.229 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.58 139.99 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.214 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.96 -54.87 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.215 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -158.53 167.86 28.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.138 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.99 116.27 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.243 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.7 p -108.03 163.34 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 50.0 111.15 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -85.78 168.63 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.257 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 p -134.46 164.98 40.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.138 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 53.2 Cg_exo -54.62 -31.81 72.11 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.606 . . . . 50.0 111.187 177.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -100.33 109.94 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 75.0 111.263 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -69.15 -9.86 54.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.18 -170.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -80.12 -7.28 58.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.129 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 t -136.88 150.05 48.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 50.0 111.249 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -116.76 151.3 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.187 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -109.9 119.36 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.183 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.53 124.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.24 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -86.56 135.28 33.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.2 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.86 158.44 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.236 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -73.42 -23.05 60.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.273 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.16 159.94 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.222 -172.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -78.91 170.55 16.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -68.86 -17.73 64.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 75.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.34 120.02 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.79 -4.7 75.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.186 -0.766 . . . . 75.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.3 mmt -90.42 155.84 18.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 50.0 111.213 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.7 t -119.22 -163.1 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.217 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.9 p -138.63 152.12 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.165 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -164.61 156.73 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.156 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -118.68 130.06 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.252 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -121.75 104.29 9.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.155 -173.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -116.57 -30.13 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.159 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.01 165.87 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.192 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.28 124.01 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 50.0 111.175 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.92 160.12 41.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.187 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -73.86 -30.64 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.159 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.4 p -66.46 -14.87 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 50.0 111.255 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.02 153.92 47.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 75.0 111.233 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -52.26 136.13 54.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.789 1.659 . . . . 50.0 111.128 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.15 -45.13 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 50.0 111.165 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 75.0 111.22 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.5 mm -60.46 -38.64 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.235 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.76 -49.16 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 50.0 111.207 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.75 -47.85 83.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.119 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.79 -40.71 85.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.173 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 mt -55.18 -40.3 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 50.0 111.215 173.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.36 -19.52 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.244 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.96 124.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 50.0 111.206 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.78 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.203 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.01 -26.4 15.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.189 -0.764 . . . . 50.0 111.189 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.43 129.19 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 50.0 111.135 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -93.93 -56.79 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.227 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -161.26 157.34 25.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.239 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.66 130.47 74.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.213 -0.448 . . . . 50.0 111.287 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.26 130.03 56.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.175 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -109.97 136.58 49.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.239 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.72 127.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 50.0 111.22 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.6 mtt 58.31 -118.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.0 111.211 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -113.26 22.22 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.0 111.151 -166.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -150.81 160.1 44.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.218 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.95 135.07 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 50.0 111.249 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 t -104.95 109.95 22.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 50.0 111.259 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.69 125.0 65.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 50.0 111.225 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.181 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -110.73 179.13 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.251 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -84.8 161.78 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 50.0 111.311 171.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.03 -39.77 95.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.192 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.38 -40.01 81.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.139 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.02 160.06 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 50.0 111.233 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -126.95 149.82 49.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.192 173.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -69.49 -26.93 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.239 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.44 -35.76 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 75.0 111.233 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 97.8 m -82.47 -49.59 9.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 50.0 111.124 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.12 -50.17 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 50.0 111.17 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' A' ' 76' ' ' PRO . 35.5 mt -61.4 -46.0 94.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 50.0 111.18 -163.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 75' ' ' LEU . 76.5 Cg_exo -45.79 -44.28 18.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.751 1.634 . . . . 50.0 111.224 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -72.13 -45.3 61.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.6 -55.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.2 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -58.41 -38.76 78.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.222 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.7 -41.47 73.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 50.0 111.186 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.38 -46.07 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.153 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -57.89 -30.09 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.268 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.4 1.17 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.247 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.31 -27.96 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.235 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 55.88 33.92 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.152 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -85.14 147.98 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.0 111.186 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -53.93 134.83 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 75.0 111.15 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -157.13 164.47 37.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.246 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -159.84 166.19 30.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.177 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.45 172.0 7.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.0 111.139 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.203 -0.453 . . . . 75.0 111.22 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 tpp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.794 0.331 . . . . 75.0 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -154.23 140.45 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 75.0 111.228 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 84.6 mt -97.12 139.75 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.099 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 97.8 mt -93.17 -52.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 50.0 111.251 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -157.93 157.29 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.25 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.7 123.84 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 50.0 111.249 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.0 p -118.11 168.28 10.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 50.0 111.134 -176.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -87.24 169.41 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.249 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.9 p -130.24 160.0 67.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 50.0 111.242 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -33.74 81.97 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.742 1.628 . . . . 50.0 111.178 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -92.79 113.17 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.17 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 55.8 t-80 -70.03 156.91 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.186 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 77.2 m-20 80.38 12.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.153 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -146.72 141.11 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 50.0 111.259 166.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 92.5 mmm -115.5 152.92 32.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 50.0 111.134 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.35 119.81 40.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.197 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -108.27 117.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.0 111.223 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.5 m -85.11 128.56 34.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 50.0 111.242 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -100.78 156.11 17.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.196 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 m -77.73 -26.3 49.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.0 111.155 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -70.24 149.94 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.279 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.7 p -74.54 166.18 23.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 75.0 111.204 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -65.5 -24.14 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 75.0 111.254 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.59 131.88 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 111.279 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.11 -9.19 67.71 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.26 -0.736 . . . . 75.0 111.26 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.1 mmm -96.5 153.71 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 50.0 111.238 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.9 p -86.36 167.96 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.303 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -137.74 116.47 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.086 170.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -161.22 162.29 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.234 -166.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -115.36 130.63 56.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 50.0 111.191 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -118.58 119.54 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.194 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 p -119.29 -31.27 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.264 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.93 162.71 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.0 111.276 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.87 134.62 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 50.0 111.21 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -157.9 141.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.199 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.88 -30.04 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.194 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.8 p -71.04 -14.25 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.177 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -85.82 158.53 56.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.0 111.246 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 42' ' ' ILE . 51.2 Cg_exo -54.88 146.67 55.4 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.595 1.53 . . . . 50.0 111.259 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.59 -51.26 63.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.231 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' HB3' HD12 ' A' ' 84' ' ' LEU . 1.7 p90 -70.02 -10.03 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 75.0 111.294 -174.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 39' ' ' PRO . 33.9 mm -86.42 -43.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.149 171.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.25 -44.04 89.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.299 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -55.21 -47.16 75.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.196 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.84 -44.92 75.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 50.0 111.148 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.24 -43.54 70.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.175 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -74.89 -12.27 60.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.212 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.49 124.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 50.0 111.168 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.81 128.75 38.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.221 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.71 -16.4 21.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.185 -0.766 . . . . 50.0 111.185 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.39 128.78 39.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.805 0.336 . . . . 50.0 111.172 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.96 -58.78 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.214 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.2 p -152.44 152.87 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.271 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.21 125.37 67.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 50.0 111.14 172.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -115.08 128.5 56.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.214 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -116.09 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 50.0 111.245 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -143.56 129.6 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.182 167.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.6 mtm 54.93 -110.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.218 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -122.77 23.24 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 75.0 111.248 -164.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.78 155.18 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.17 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -123.39 133.76 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 50.0 111.199 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -101.58 112.24 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.215 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.71 121.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.266 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.83 130.34 56.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 50.0 111.162 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -101.03 179.88 4.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 50.0 111.273 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -84.38 162.41 20.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.271 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.76 -39.91 94.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 50.0 111.244 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.96 -40.1 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.198 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.71 157.61 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.247 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -125.01 151.7 45.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.225 174.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -70.34 -22.59 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 50.0 111.158 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.04 -40.04 63.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.137 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 98.6 m -87.2 -50.76 6.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 50.0 111.177 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.56 -50.03 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 50.0 111.196 -165.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 32.7 tp -65.1 -45.27 72.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.175 -161.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 75' ' ' LEU . 89.1 Cg_exo -50.1 -42.77 45.15 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.643 1.562 . . . . 50.0 111.31 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.7 -45.98 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 50.0 111.211 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.31 -51.75 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.139 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -55.0 -47.24 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 50.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.68 -42.9 79.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.272 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.6 -39.55 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.0 111.202 -174.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -82.46 10.38 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.091 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -106.34 20.67 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 75.0 111.227 171.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 41' ' ' PHE . 50.1 mt -69.34 -30.8 68.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.214 175.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 59.22 35.88 23.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.203 -171.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -99.03 162.45 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.0 111.249 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -118.22 95.31 4.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.305 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.34 157.46 41.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 75.0 111.279 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -146.42 -178.93 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 75.0 111.161 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 21.5 t-160 -144.92 126.41 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 75.0 111.22 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.199 -1.589 0 CA-C-N 116.261 -0.427 . . . . 75.0 111.229 179.17 . . . . . . . . 0 0 . 1 stop_ save_