data_2mvz_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 2mvz _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -130.46 156.07 45.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -153.49 -179.98 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.35 -167.02 34.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -150.94 149.82 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.145 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.2 mt -109.17 101.86 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 tp -79.87 120.47 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.4 mmm -90.04 147.73 23.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.55 5.34 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.99 58.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.52 170.65 53.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -157.49 127.81 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.44 105.34 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -88.32 132.42 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -139.65 161.37 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -123.21 150.12 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.08 153.12 26.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -127.19 92.46 43.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.14 -28.84 53.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.697 1.598 . . . . 0.0 111.174 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.12 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.81 -43.21 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.32 93.39 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.225 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.71 -46.73 31.15 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.741 1.627 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -47.4 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.4 m -62.72 -46.65 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.08 -48.2 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.0 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.02 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.85 -44.16 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.19 -46.99 87.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.56 -42.62 88.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.32 -50.1 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.252 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.8 83.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.228 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -77.75 -5.14 49.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 -174.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -99.14 3.54 46.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.08 18.41 80.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.76 -41.77 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.15 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' HA ' HD23 ' A' ' 43' ' ' LEU . 70.6 m-85 -85.6 0.15 53.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -171.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -69.95 102.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.23 -1.6 31.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' TYR . 11.1 mp -87.07 142.12 28.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 111.198 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -114.53 165.45 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -170.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -91.96 99.01 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 168.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -81.74 -14.2 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -168.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -134.86 80.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.49 130.15 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -121.78 96.66 46.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.95 122.28 11.4 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.735 1.624 . . . . 0.0 111.212 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.79 -16.3 58.72 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -128.99 -128.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.237 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.87 120.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.1 m -105.95 148.52 27.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -123.82 135.46 53.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.68 176.11 26.69 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.25 24.41 1.45 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -109.98 113.26 57.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.38 102.65 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.736 1.624 . . . . 0.0 111.181 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 50.04 31.27 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.97 59.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -96.13 13.21 28.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.241 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.11 -97.55 2.34 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -115.26 119.7 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.197 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.32 40.65 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -77.34 73.35 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.43 -44.02 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.44 14.82 70.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -124.83 122.81 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -128.68 129.99 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.14 158.52 63.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -87.21 179.47 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.705 1.603 . . . . 0.0 111.177 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.08 109.7 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 170.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -100.4 144.76 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.6 p -129.07 -11.87 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -109.18 149.99 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -99.56 -22.18 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 6.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -98.79 150.14 36.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.01 139.19 70.71 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -110.23 60.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.63 148.53 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -92.9 72.11 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.86 -171.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -54.32 111.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.57 -10.02 66.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.73 144.91 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.208 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.42 122.26 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 97.3 p -124.73 153.76 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -176.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.0 tpp -90.03 130.37 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 132.12 46.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -160.58 -178.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.85 -4.62 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.55 -146.39 12.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -75.49 129.51 37.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 57.64 55.28 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.1 p -138.22 -8.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.19 165.09 43.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 91.7 p -150.04 -119.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.73 0.3 . . . . 0.0 111.239 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -128.51 -8.12 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.185 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -78.52 141.49 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -145.28 164.97 29.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -171.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.84 154.98 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.27 119.8 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 163.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.73 122.91 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.57 -51.41 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -106.05 130.98 22.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.23 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.17 137.89 45.42 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.723 1.615 . . . . 0.0 111.25 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -128.08 97.01 30.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.17 -32.94 89.06 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.76 1.64 . . . . 0.0 111.159 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -77.53 -9.11 58.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.257 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.78 -5.6 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.61 112.75 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.95 82.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.56 -42.61 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.74 168.15 11.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.0 m -89.67 101.18 13.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.226 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.8 t -70.26 130.02 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -132.67 -15.74 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.2 179.94 25.59 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -158.35 129.38 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.205 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.0 134.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 78.1 p -114.75 -21.53 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.7 t -157.44 141.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.91 11.2 60.54 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.44 -29.01 61.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -54.46 -31.94 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.06 -36.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.0 -48.04 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.216 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.7 ttp-105 -58.48 -38.38 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 p -97.05 10.08 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.2 ttm -69.71 142.55 53.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.04 150.12 21.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -60.83 115.78 3.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.67 19.08 49.78 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -57.44 134.1 55.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.25 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.9 132.76 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.8 mtm -83.76 126.1 32.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.95 -47.56 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -148.79 108.16 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.8 119.36 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.67 148.36 51.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.5 t -134.96 139.2 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -144.66 165.04 29.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.04 139.91 36.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -159.98 73.85 3.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 1 C--O 1.0 -11.386 0 C-N-CA 121.613 1.542 . . . . 0.0 111.232 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.05 129.98 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.234 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.22 176.49 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.02 -176.68 41.06 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -149.93 157.26 42.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.27 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.7 mt -118.51 111.26 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 tp -90.7 120.13 31.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.2 mmm -92.6 153.31 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.22 -25.01 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -94.55 12.78 26.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.87 10.59 78.58 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 64.87 4.1 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.26 116.43 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.41 156.23 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.278 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -118.72 148.55 42.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -145.07 165.08 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.45 153.26 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.74 156.92 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -129.28 80.04 73.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -66.88 -16.1 48.95 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.624 1.549 . . . . 0.0 111.201 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -82.54 -9.49 59.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -108.04 -37.36 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.17 78.62 16.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.98 -48.62 21.16 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.681 1.587 . . . . 0.0 111.179 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.24 -50.92 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 -171.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.8 m -62.19 -42.47 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.87 -44.82 99.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.42 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.54 -43.28 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -56.1 -48.93 75.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.62 -45.57 91.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.51 -45.27 89.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.71 -46.65 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.84 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.93 -4.98 54.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.29 22.74 72.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -51.19 -43.73 61.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.327 . . . . 0.0 111.202 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -82.26 -16.85 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -171.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -70.05 103.55 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.04 -14.29 31.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.91 163.94 21.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 p -120.9 166.84 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 28.3 m-85 -80.86 124.18 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -54.95 -54.84 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -159.97 129.76 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.2 114.98 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.78 104.59 56.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.19 130.86 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.176 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.59 79.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -141.24 -92.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.1 t -144.07 138.54 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -109.22 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -105.39 130.08 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -79.87 160.54 44.98 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.06 -148.46 24.22 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.4 p -154.83 164.54 20.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -54.93 -35.41 89.37 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.654 1.57 . . . . 0.0 111.15 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.1 -36.26 83.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.85 84.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -173.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -101.46 -3.62 28.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.09 4.82 77.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -117.25 112.98 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.99 145.23 44.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -153.22 44.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 -18.68 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.6 -2.46 58.85 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.33 69.03 7.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 m -103.58 121.99 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.195 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 pt -130.02 159.35 70.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.94 163.61 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.748 1.632 . . . . 0.0 111.176 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.71 136.76 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -89.76 -6.09 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.2 p -69.03 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.36 -35.52 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.83 -27.19 11.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -143.56 83.33 10.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -51.05 130.79 32.96 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.683 1.589 . . . . 0.0 111.224 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.77 141.77 43.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -102.69 144.67 30.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -109.8 108.03 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.32 -178.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -54.96 118.51 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.44 -19.3 42.78 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.94 143.43 56.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -171.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.3 mtp -118.76 127.85 53.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -141.11 142.78 34.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 38.5 ttm -68.77 135.78 51.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.92 150.34 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -129.18 146.21 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -99.86 7.48 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.14 -174.43 36.9 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -59.45 120.06 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 53.04 33.92 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -126.35 68.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.38 159.68 47.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.5 p -118.81 -178.07 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 111.146 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.47 2.56 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -90.26 144.02 26.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -130.09 156.59 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -138.25 151.04 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.99 123.72 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.19 135.04 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.6 -31.32 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.79 149.19 72.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.49 134.42 39.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.716 1.61 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -125.12 87.67 55.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.03 -31.94 66.48 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.712 1.608 . . . . 0.0 111.195 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -71.24 -24.13 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.63 -9.57 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.68 125.09 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 4.92 85.5 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.6 t -102.62 -48.39 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -109.87 160.3 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -96.47 110.43 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.95 134.89 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 -15.31 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -171.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.21 -167.2 30.33 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -159.71 149.57 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 111.262 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.67 130.21 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 -18.85 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -171.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.7 p -136.93 146.43 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 67.32 34.92 86.75 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 75.7 mtm -59.79 -39.1 83.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.82 -39.08 93.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.81 -43.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.87 -44.1 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.02 -35.75 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.7 p -96.37 17.11 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.66 160.01 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.62 159.17 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -68.77 110.55 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.59 12.76 57.88 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -60.02 132.71 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.209 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.1 t -88.37 129.17 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 -167.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.0 mtm -85.48 123.01 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -89.75 -40.28 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.261 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -157.65 136.14 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.6 t -128.14 120.59 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 170.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -127.27 133.55 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -172.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -118.42 139.9 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.05 165.74 28.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.01 149.98 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -125.31 129.97 24.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.67 1.58 . . . . 0.0 111.197 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -89.92 139.95 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.3 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -149.07 167.02 27.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.33 165.63 25.7 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -140.02 119.91 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.181 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 96.6 mt -92.03 125.62 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.1 tp -111.16 120.09 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mmm -90.36 153.99 20.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.51 -27.52 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -92.84 16.95 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.64 12.54 69.12 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.63 136.98 36.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -124.46 95.21 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -175.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 78.3 mt -115.77 105.13 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -175.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -103.63 134.2 47.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -142.99 158.98 43.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -104.58 157.96 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.68 147.48 33.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.75 83.1 58.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -66.49 -14.56 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -67.54 -29.1 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.94 -36.97 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.11 93.67 1.02 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.46 -47.04 29.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.621 . . . . 0.0 111.17 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.43 -44.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.5 m -64.12 -48.47 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.32 -40.4 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.08 78.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -61.69 -42.7 99.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.232 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.08 -50.92 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.74 -46.3 90.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -44.03 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.89 -45.92 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.54 94.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.51 -29.94 70.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.96 -4.71 58.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 3.31 58.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -67.17 -30.02 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.159 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.97 30.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 139' ' ' GLU . 93.5 m-20 -119.98 50.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.62 61.18 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.71 159.61 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.5 m -114.22 148.26 37.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 51.3 m-85 -97.07 97.8 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.84 -43.08 59.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -170.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -120.18 80.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.36 123.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt -119.43 97.3 50.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.239 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 127.85 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.227 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.27 -8.94 67.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 -66.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.233 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.6 p -170.8 140.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -171.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -99.25 106.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 170.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -92.23 119.73 32.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.6 177.87 42.34 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -174.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.85 24.43 2.8 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.9 t -100.0 129.46 28.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.204 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.99 -16.27 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.705 1.603 . . . . 0.0 111.182 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -98.5 -23.91 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.48 15.21 81.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -99.69 -0.46 40.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.226 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.4 -4.97 62.44 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -116.38 103.96 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 111.227 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.75 155.06 53.22 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -145.37 99.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.221 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.31 -14.1 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.6 -8.42 74.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -162.9 167.43 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -89.71 132.55 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.9 mt -97.48 125.45 45.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -56.88 144.7 87.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.696 1.597 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.3 t -95.79 97.99 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -89.53 120.04 30.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.1 p -99.2 -5.01 30.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -108.01 147.54 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -99.09 -38.39 8.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 6.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.04 153.54 74.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 170.45 20.16 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.662 1.575 . . . . 0.0 111.153 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.55 67.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -82.11 144.51 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -101.2 94.82 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -104.02 -171.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.7 m -55.66 109.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.42 -3.36 68.85 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.08 140.29 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.0 mtp -119.63 127.99 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 98.3 p -137.64 153.64 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.7 mmm -88.25 139.02 30.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.29 130.29 37.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -157.19 177.19 11.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.22 33.32 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.195 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.51 -169.65 21.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.01 121.86 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.189 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 t0 69.88 47.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -138.7 0.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.85 152.08 48.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 p -119.46 -178.16 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 174.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.0 p -69.63 -18.98 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -63.29 142.64 58.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -147.63 171.72 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.27 138.67 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.06 106.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 164.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.96 138.59 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -173.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -90.65 -95.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.88 155.76 90.35 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 164.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.37 141.31 72.34 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.733 1.622 . . . . 0.0 111.169 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -126.86 87.98 55.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.76 -31.29 91.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.701 1.601 . . . . 0.0 111.188 -175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.42 -9.94 59.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -172.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.55 -4.89 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -60.86 106.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.37 -5.01 67.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -77.34 -47.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.77 169.07 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.0 m -95.59 101.36 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.0 t -70.38 130.32 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -126.18 -17.81 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.35 -173.91 27.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -159.95 129.9 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.269 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.9 130.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.9 p -115.12 -20.59 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -147.01 140.07 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.83 22.23 26.37 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.24 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.84 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.49 -41.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.92 -52.25 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.64 -29.81 67.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.6 p -96.02 13.27 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.222 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -61.23 144.66 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.39 149.95 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.99 110.05 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.244 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.1 7.57 52.23 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.27 130.3 46.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.136 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -94.92 132.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -173.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.0 ttp -88.53 136.04 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.03 -52.05 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 41' ' ' ASN . 25.2 pt-20 -166.92 162.71 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.2 t -130.0 132.5 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.75 154.5 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.02 131.24 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -129.93 160.37 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -122.08 137.59 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -131.17 129.73 22.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.001 -11.344 0 C-N-CA 121.646 1.564 . . . . 0.0 111.205 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.87 150.34 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.33 131.92 38.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.49 -175.0 14.71 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -153.99 147.08 24.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.249 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -106.39 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 165.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.44 122.53 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 mtt -95.07 152.7 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.02 -20.37 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.264 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.69 1.38 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.07 7.74 69.87 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.38 63.87 4.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.22 126.25 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 111.19 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -116.3 116.02 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.85 135.34 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.32 161.02 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.248 -169.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -120.24 141.32 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.42 154.01 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.85 80.53 25.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.47 -14.89 43.93 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.613 . . . . 0.0 111.199 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -69.85 -29.48 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.64 -35.45 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.94 79.04 23.58 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.32 -48.83 19.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.691 1.594 . . . . 0.0 111.186 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.98 -51.37 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.1 m -63.39 -44.6 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.23 -43.23 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.1 85.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.42 -49.2 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.93 -46.09 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.59 -50.07 71.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.52 -49.7 76.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.59 -49.76 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.59 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.85 -23.11 60.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.62 1.97 39.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.99 63.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.64 -58.13 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -70.12 -26.47 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -61.82 110.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.53 32.06 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.26 168.99 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -124.97 174.29 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.4 96.51 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.04 90.09 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.84 129.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.5 mt -122.23 94.29 48.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.64 128.97 32.52 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.654 1.569 . . . . 0.0 111.223 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.21 67.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -130.01 -96.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.202 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.98 177.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -146.58 146.0 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -124.69 134.72 52.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.95 -173.81 25.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.55 18.01 55.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.91 121.65 72.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.41 -21.93 7.21 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.714 1.609 . . . . 0.0 111.208 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -85.44 -32.8 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.08 6.69 89.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -110.13 6.7 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -12.94 67.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -103.9 134.14 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.75 168.87 54.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -133.77 59.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.707 0.289 . . . . 0.0 111.201 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.43 167.65 28.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.99 92.16 0.14 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.21 149.56 25.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.8 m -87.44 103.21 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mm -112.53 101.16 52.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.08 143.07 94.01 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.731 1.621 . . . . 0.0 111.18 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.11 64.13 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.88 122.83 24.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.225 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -118.86 -21.53 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -61.35 108.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.231 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.0 t30 57.81 41.25 25.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -147.14 74.96 11.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.68 140.51 90.71 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.712 1.608 . . . . 0.0 111.212 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.42 51.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.42 131.57 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -100.14 76.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.1 m -112.65 -178.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.9 m -53.53 118.05 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.01 -7.42 67.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 129.66 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 60.8 ttm -116.88 123.75 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -132.26 155.42 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.4 tpp -94.87 133.49 38.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.82 144.97 52.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -155.73 165.19 37.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.07 38.65 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.66 -177.63 16.96 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -69.22 139.95 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.768 0.318 . . . . 0.0 111.179 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 58.08 34.89 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -149.38 69.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.16 161.36 15.59 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.5 p -117.73 -173.08 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 111.225 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.8 p -90.58 -0.45 57.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.87 149.95 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.05 159.26 42.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.6 144.69 40.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 115.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 165.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.3 t -81.75 139.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -98.22 -40.35 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -136.22 153.83 76.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.0 Cg_exo -52.66 121.94 10.04 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.69 1.593 . . . . 0.0 111.172 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -126.07 94.01 42.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -56.01 -32.77 87.38 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.679 1.586 . . . . 0.0 111.188 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -79.17 -9.84 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.49 -2.7 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.46 133.73 51.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.27 5.03 89.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.3 t -81.97 -49.67 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -110.77 169.9 8.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.0 m -89.73 99.45 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.0 t -78.16 129.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.275 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -138.61 -13.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.08 155.16 22.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -139.97 121.01 14.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.76 134.48 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.6 p -116.18 -21.76 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 t -148.41 140.19 23.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.51 35.25 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -172.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.6 mtp -64.61 -26.31 68.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.08 -41.2 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 172.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.71 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.36 -51.37 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 174.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -50.62 -49.66 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.2 p -112.15 50.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 95.3 mtp -65.12 146.71 54.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 173.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -91.42 133.52 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -66.19 121.96 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.28 10.45 77.66 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 135.88 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.192 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.88 129.19 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -175.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 75.6 mtm -80.74 100.09 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.23 -45.97 90.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -152.11 113.81 4.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.93 115.34 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -129.98 149.94 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.3 t -135.27 127.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.93 132.48 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.33 133.25 45.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.64 149.43 48.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.25 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 1 C--O 1.0 -11.411 0 C-N-CA 121.697 1.598 . . . . 0.0 111.196 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -140.0 150.05 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -144.77 138.04 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.71 -176.38 17.69 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -154.91 151.46 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.7 111.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 169.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -89.25 125.66 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -88.04 160.24 17.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.42 -16.22 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -88.69 0.36 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.182 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.22 4.57 71.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 104.18 2.0 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.94 114.82 26.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.18 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.03 119.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.63 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -144.95 157.44 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.36 145.47 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.53 155.95 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.1 75.67 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.15 -19.07 45.33 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.751 1.634 . . . . 0.0 111.178 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -69.29 -28.75 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -99.97 -32.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.13 75.63 53.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.13 -57.18 2.15 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.66 1.573 . . . . 0.0 111.209 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.45 -50.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -170.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.6 m -60.15 -49.72 76.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.76 -41.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.44 88.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.9 -42.29 94.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.03 -50.94 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.0 -43.86 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.3 -49.78 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -58.48 -46.8 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.95 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -67.16 -31.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -81.74 1.14 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 23.06 75.79 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.06 -57.79 7.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.03 -27.19 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.217 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -61.66 110.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.79 30.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.3 mt -88.59 173.58 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 p -128.93 174.02 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -170.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 68.3 m-85 -99.79 96.22 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 166.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -71.05 -32.27 68.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -119.32 76.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 -172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 74.5 t -101.32 119.67 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.89 101.11 53.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.34 132.75 54.06 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.691 1.594 . . . . 0.0 111.238 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.15 8.7 87.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -133.43 -77.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.315 . . . . 0.0 111.169 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.77 139.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.229 -172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -117.25 100.62 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -96.56 134.09 40.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -159.55 -166.27 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.74 13.76 64.32 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.2 t -77.61 125.67 85.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.184 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.22 -20.98 14.05 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.69 1.593 . . . . 0.0 111.236 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -90.33 -25.46 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.82 15.98 80.6 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -102.9 -1.49 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.83 -20.0 52.35 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -130.57 121.1 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.41 -171.09 45.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -135.44 88.29 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.241 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.65 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.31 82.78 0.19 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -97.76 143.17 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -86.31 94.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.248 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -122.45 107.69 34.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.01 156.24 65.92 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.756 1.637 . . . . 0.0 111.108 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.2 t -63.05 99.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.74 82.4 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -103.79 -2.57 26.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.15 100.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.186 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 55.24 38.22 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -148.75 77.45 9.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.04 129.38 32.87 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.656 1.57 . . . . 0.0 111.215 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -86.68 58.3 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -80.81 117.99 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -101.15 86.48 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.0 m -125.69 -174.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -49.94 117.9 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.98 -17.57 52.06 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 141.55 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.179 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.4 ' HG2' HG12 ' A' ' 103' ' ' ILE . 85.2 mtp -115.32 127.15 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 174.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -139.21 139.23 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.437 ' SD ' ' HB3' ' A' ' 101' ' ' PHE . 99.6 mmm -81.6 148.43 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.7 104.69 6.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -119.93 149.84 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.01 41.83 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.0 178.88 18.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -64.84 147.38 53.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 53.44 29.97 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -150.5 81.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.94 155.36 16.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 p -106.24 -177.64 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 0.0 111.214 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.22 -1.2 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.4 150.0 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.437 ' HB3' ' SD ' ' A' ' 89' ' ' MET . 32.2 p90 -138.64 170.1 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.24 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -148.98 148.2 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.4 HG12 ' HG2' ' A' ' 87' ' ' MET . 67.7 mt -109.64 131.34 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.42 135.13 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.251 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -97.67 -37.55 9.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -133.5 157.22 78.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.0 Cg_exo -51.35 121.65 8.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 121.693 1.595 . . . . 0.0 111.188 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -127.87 90.0 49.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.96 -30.3 68.55 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.678 1.586 . . . . 0.0 111.244 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.04 -18.77 59.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -91.85 -15.74 27.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.58 126.57 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 3.73 90.29 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.6 t -87.48 -49.58 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -115.26 171.72 7.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.215 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.6 m -94.33 109.75 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.09 133.34 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 172.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.67 -15.93 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -168.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.15 -176.79 33.64 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -156.95 133.59 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -71.93 137.66 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.234 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.1 p -116.69 -29.44 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.7 t -143.23 128.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.11 10.68 64.06 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.54 -42.58 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 111.233 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.0 -40.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.22 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.409 ' HA ' ' HB2' ' A' ' 131' ' ' MET . 79.7 t -67.67 -43.62 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -58.73 -36.18 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.3 p -113.99 28.6 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.409 ' HB2' ' HA ' ' A' ' 128' ' ' VAL . 38.9 ttp -63.49 149.9 45.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.249 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.98 149.84 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 62.7 t30 -70.17 131.14 43.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.19 16.48 62.67 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.98 130.01 44.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.122 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.23 128.98 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 -172.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -83.77 100.9 11.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.73 -45.53 92.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -152.18 112.7 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.8 t -109.06 117.12 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -129.87 142.04 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.3 t -134.77 127.76 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 173.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -120.97 138.01 54.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -175.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -76.62 129.98 37.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.72 149.96 75.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.0 -11.387 0 C-N-CA 121.697 1.598 . . . . 0.0 111.241 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.932 0.396 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -149.08 163.62 37.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -129.8 175.65 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.03 172.19 33.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -146.82 128.88 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 111.157 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 94.9 mt -102.0 114.21 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 173.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -90.82 120.25 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.2 mmm -89.98 152.42 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -60.26 -25.72 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -90.4 9.43 29.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.81 10.48 69.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 138.66 39.73 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -118.65 93.31 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.144 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 71.9 mt -108.69 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -175.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -101.52 132.01 47.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.55 159.52 41.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.271 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -108.3 156.03 19.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -115.73 154.88 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -123.3 78.59 53.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.56 -14.95 40.8 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.634 1.556 . . . . 0.0 111.229 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -87.42 -9.79 53.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.1 -29.99 7.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.92 75.47 24.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.43 -53.92 5.81 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.714 1.609 . . . . 0.0 111.171 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.48 -48.34 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -61.57 -47.67 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -41.51 91.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.257 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.99 -49.94 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.69 -50.0 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -56.0 -56.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.51 -42.97 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.74 76.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -71.56 -21.68 61.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -81.35 -7.9 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.79 14.85 56.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -79.99 -17.81 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -102.1 17.76 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -103.73 113.07 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.21 11.31 39.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 mt -81.29 153.36 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 m -112.98 147.44 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 72.3 m-85 -88.8 104.73 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 169.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -86.2 -20.92 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -166.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -141.79 87.09 2.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -98.91 122.55 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 96.88 49.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -54.99 127.21 25.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.729 1.62 . . . . 0.0 111.215 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.41 -2.05 70.32 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -129.94 -71.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.365 . . . . 0.0 111.209 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -165.44 135.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -171.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.17 100.6 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 171.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -89.98 129.23 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -168.79 -150.93 6.91 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.87 23.7 68.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -102.83 121.91 47.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.219 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -61.53 -37.22 72.01 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.213 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -91.28 -18.05 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.195 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.89 75.14 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -121.73 8.09 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.152 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.43 -3.74 72.47 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -91.57 114.24 26.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 111.217 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.03 108.72 2.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.87 41.81 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.52 -24.15 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.6 72.41 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -130.8 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 p -133.6 160.22 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.59 109.98 35.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.59 144.92 72.64 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.732 1.621 . . . . 0.0 111.161 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.3 t -62.1 102.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -77.32 129.48 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.6 m -127.48 119.19 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.71 -150.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -27.36 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -59.88 119.52 41.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.98 -29.08 81.25 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.717 1.611 . . . . 0.0 111.211 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 62.63 61.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -79.39 138.47 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -113.21 92.06 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.1 m -122.29 -170.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -54.0 117.2 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 -18.85 54.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.07 127.99 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.3 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.5 mtp -103.38 118.58 37.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -136.91 140.05 42.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.1 mmm -78.69 153.93 30.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 -175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.33 140.18 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -154.34 173.45 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.35 44.38 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.18 168.33 11.34 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.16 139.67 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.261 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 51.59 31.65 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -149.96 75.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.39 -177.5 15.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 p -119.88 -176.03 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.3 p -80.07 -8.4 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -71.58 153.08 42.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -150.03 -179.15 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.08 149.65 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.5 121.74 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.3 140.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.249 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -95.31 -36.28 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -136.75 155.87 76.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 82.0 Cg_exo -49.55 121.23 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.7 1.6 . . . . 0.0 111.234 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -125.85 92.74 45.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -54.62 -29.27 60.02 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.187 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.92 -16.89 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.81 -13.49 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.68 116.76 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.04 2.26 86.13 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -86.88 -49.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 111.193 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.59 169.57 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -91.21 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.6 t -89.01 133.87 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -132.97 -17.84 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.85 -176.82 30.34 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -160.0 129.88 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.2 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.65 131.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.6 p -118.81 -23.7 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -144.79 136.66 25.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.13 63.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.6 tpt -55.77 -30.03 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 111.219 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.9 -40.14 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.04 -34.74 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.38 -45.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.73 -33.15 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 82.0 p -100.99 15.61 28.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.8 ttm -62.44 148.68 44.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.71 150.13 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.11 123.4 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.23 -5.16 31.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.35 140.13 58.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.23 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.44 138.69 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.4 mtm -79.97 100.01 7.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.46 -43.15 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -159.98 120.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 73.6 t -111.06 120.15 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -126.49 149.98 49.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.3 134.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.18 148.08 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.68 82.9 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -116.95 93.99 43.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 1 C--O 1.0 -11.402 0 C-N-CA 121.662 1.575 . . . . 0.0 111.289 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -122.75 147.02 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.202 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.22 168.66 19.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.56 160.69 28.88 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -148.77 129.94 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 111.193 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -114.22 119.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.188 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -97.27 129.97 44.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mmt -99.34 154.7 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.67 -21.27 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -90.05 9.02 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.2 2.51 70.92 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.99 141.51 43.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.97 107.64 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -114.72 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -109.08 132.73 53.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.22 165.07 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -108.55 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -113.53 141.26 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -127.61 88.47 53.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -170.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -54.13 -29.45 55.99 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.681 1.587 . . . . 0.0 111.22 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.18 -29.63 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.57 -39.9 21.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.83 90.58 2.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -55.64 -60.75 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.732 1.622 . . . . 0.0 111.2 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.22 -40.48 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.3 m -58.88 -48.85 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.245 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 -42.47 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.95 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.08 -49.69 73.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.62 -44.96 96.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.75 -50.16 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.77 -43.54 98.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.55 -32.74 74.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.33 -7.45 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.86 20.19 66.07 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.49 -50.9 56.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 111.243 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -71.56 -22.66 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -69.95 101.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.18 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.26 -3.93 47.8 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.11 146.62 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.2 p -120.64 160.39 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.98 172.3 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 168.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -142.76 -24.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -139.94 79.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.272 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.3 t -89.78 129.19 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mt -127.14 91.09 47.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.222 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.25 130.06 38.15 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.722 1.614 . . . . 0.0 111.185 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.73 -6.95 70.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -129.79 -87.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -160.08 134.02 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 p -99.97 132.26 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -112.69 128.66 56.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.227 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.58 -174.89 17.24 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.53 33.41 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -122.96 153.18 63.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.23 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.32 -24.1 8.19 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.734 1.623 . . . . 0.0 111.191 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.91 -0.0 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 31.35 56.72 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.96 4.69 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.33 4.99 85.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -124.23 130.04 51.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.194 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.78 157.74 51.78 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.95 0.0 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.67 -53.04 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.91 18.21 80.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -100.1 159.97 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.7 m -110.52 119.77 40.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.8 mt -107.55 128.53 25.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.12 144.67 38.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.174 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.18 121.02 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -108.8 138.68 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -12.63 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -110.09 150.03 29.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -100.0 -34.26 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 5.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -80.09 150.03 70.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.29 161.65 45.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.603 . . . . 0.0 111.083 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -107.51 115.59 30.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.189 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -112.47 140.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -115.6 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.9 m -131.12 178.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.7 m -44.84 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.38 58.91 1.79 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 149.47 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.291 . . . . 0.0 111.232 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.63 121.63 29.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.162 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.434 ' HB3' HG23 ' A' ' 117' ' ' VAL . 96.2 p -135.04 160.12 39.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.6 mmm -97.0 143.66 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.27 138.17 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -152.64 171.32 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.75 36.13 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.71 -170.47 21.59 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -72.98 130.07 39.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 60.33 41.62 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.9 p -130.0 2.85 4.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 139.03 37.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.3 p -112.41 -176.7 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.21 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.0 -5.4 55.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.242 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.85 146.81 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -145.33 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -168.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.85 138.35 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.239 173.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.6 116.53 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 165.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.22 131.12 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -166.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -97.67 -38.18 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.234 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -135.52 159.84 70.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.1 Cg_exo -49.7 127.15 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.734 1.622 . . . . 0.0 111.218 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -132.41 89.98 35.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.266 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -52.91 -30.02 46.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.731 1.621 . . . . 0.0 111.182 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -56.81 -39.99 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -99.1 -19.2 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.34 119.54 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.91 4.59 87.01 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.35 -50.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -101.94 154.89 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -76.37 109.92 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.434 HG23 ' HB3' ' A' ' 88' ' ' SER . 91.6 t -79.04 137.31 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -131.97 -20.46 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -142.81 165.39 26.89 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -145.57 127.69 15.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.0 t -71.71 132.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.5 p -118.02 -28.47 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -147.45 141.28 25.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.214 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.79 10.76 59.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 11.2 tpt -46.62 -40.08 12.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.204 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.44 -49.65 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.163 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -40.44 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.66 -50.0 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -67.7 -36.42 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.5 p -95.06 20.75 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.209 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.3 ttm -57.48 141.21 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.98 149.79 21.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.449 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 61.2 t30 -65.06 128.21 34.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 15.87 65.92 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -43.76 131.23 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.03 127.82 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.1 mtt -73.39 146.38 45.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -104.12 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.234 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -159.19 129.97 5.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.42 130.05 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.18 152.13 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.49 154.07 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 170.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.06 126.51 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -170.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -96.67 109.86 22.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -96.65 151.61 38.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 1 C--O 1.0 -11.404 0 C-N-CA 121.649 1.566 . . . . 0.0 111.201 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.346 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -130.14 174.09 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.9 164.41 29.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.5 164.02 29.35 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -142.78 129.12 19.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.7 mt -114.17 115.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 tp -90.92 123.86 34.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.7 mmm -90.0 156.53 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -60.28 -25.54 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -87.4 4.89 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.43 8.03 66.53 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.01 136.04 37.66 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.42 96.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.69 113.17 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -115.72 130.14 56.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.242 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -141.07 159.19 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -100.85 158.46 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.59 140.15 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -121.9 81.08 42.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.268 -169.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.21 -6.98 20.16 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.65 1.567 . . . . 0.0 111.157 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -68.13 -29.93 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.12 -27.2 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.4 72.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.96 -24.21 39.81 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.64 1.56 . . . . 0.0 111.161 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.71 -48.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -65.01 -43.85 91.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -39.76 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -67.7 -37.22 81.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -56.98 -52.7 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.65 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.97 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.11 -43.99 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.75 90.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -82.63 -0.55 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.85 -4.58 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 17.16 53.54 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 173.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -80.07 -35.12 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.157 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.13 -9.97 29.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -77.82 79.79 4.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 29.75 0.77 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 153.89 42.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.4 m -117.63 119.94 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.1 101.17 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.42 -13.09 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.39 87.07 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.1 t -108.67 111.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 76.1 mt -121.37 105.72 38.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.42 128.57 29.8 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.3 -22.77 39.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -108.7 -102.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.94 160.09 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -176.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.0 m -110.44 113.88 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -103.59 127.1 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.37 -178.55 45.54 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.64 -170.97 39.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.86 138.53 21.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 111.269 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.03 -30.5 49.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.651 1.568 . . . . 0.0 111.226 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.86 5.02 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.65 19.98 77.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.85 -30.06 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.226 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.54 -12.3 68.99 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -129.97 131.34 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.94 117.02 0.94 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -129.16 60.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 111.161 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.44 154.04 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.89 40.97 2.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -160.02 176.17 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.8 m -129.99 127.98 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.18 121.29 27.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.36 145.08 47.28 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.663 1.576 . . . . 0.0 111.164 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.5 t -67.98 126.93 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.71 109.93 10.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.0 p -128.05 -9.98 5.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.265 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.18 -2.3 40.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -109.89 -168.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 98.3 m-20 -49.39 142.77 10.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 93.9 Cg_exo -51.54 139.03 47.86 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.745 1.63 . . . . 0.0 111.198 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -110.04 77.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.74 140.02 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -99.45 80.11 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.8 m -117.09 179.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.6 m -48.96 112.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.96 -31.13 7.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.54 138.93 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.4 ttp -122.36 124.34 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 29.8 t -126.52 144.44 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -167.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.0 tpp -90.09 129.86 36.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.06 142.17 50.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -103.79 120.06 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 58.9 ttp180 -79.97 67.97 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.59 179.66 28.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.06 121.02 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 53.52 46.91 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.5 m -141.67 72.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.55 137.15 49.93 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.2 p -98.12 -160.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.19 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.12 -11.95 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.05 130.92 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -135.38 168.87 18.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.13 152.59 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.22 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.3 mt -108.92 133.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.263 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -88.73 129.72 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -170.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.68 -47.96 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 97.0 mt-10 -137.5 158.9 71.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.256 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 68.7 Cg_exo -47.9 124.57 10.17 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.674 1.583 . . . . 0.0 111.221 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 93.7 mm-40 -119.3 94.89 48.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.244 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -55.85 -30.85 78.71 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -80.02 -9.9 59.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.25 -21.44 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -59.91 106.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.11 -5.08 52.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.44 -46.96 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.8 177.19 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.6 m -108.54 112.31 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 97.9 t -73.33 128.16 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -128.88 -15.68 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.03 178.22 22.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -158.13 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 111.221 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.2 130.45 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.2 p -113.33 -20.91 11.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -146.35 140.05 26.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 174.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.13 18.93 41.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.3 tpt -54.78 -41.53 70.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.76 -49.85 74.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.62 -50.08 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.96 -47.53 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -69.99 -19.95 63.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.7 p -102.79 17.77 23.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.247 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.7 mtt -64.03 159.88 19.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.35 160.17 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -65.32 110.07 2.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.39 9.65 38.06 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -63.87 129.04 38.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.3 139.95 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.5 mtt -73.4 154.96 39.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -114.08 -48.65 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -149.9 117.04 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.06 122.74 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -137.57 142.48 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.2 t -124.1 137.58 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.56 154.38 48.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.256 -174.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.5 80.72 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.34 90.07 33.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 1 C--O 0.999 -11.452 0 C-N-CA 121.712 1.608 . . . . 0.0 111.204 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -129.5 152.13 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -134.94 173.51 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 173.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.25 179.29 40.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -151.14 148.44 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 111.244 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.16 103.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.2 tp -80.59 120.36 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mmm -90.02 145.22 25.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.62 -27.05 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.63 18.63 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.01 60.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 167.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.77 54.66 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -161.39 110.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.204 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.51 114.23 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.68 131.08 45.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -140.2 159.75 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -172.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -105.95 160.2 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.49 154.31 32.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -130.06 82.82 65.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.82 -32.94 79.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.654 1.569 . . . . 0.0 111.186 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.12 -31.96 71.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -78.27 -40.04 38.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.52 85.15 6.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -54.62 -59.56 0.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.675 1.583 . . . . 0.0 111.155 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.84 -41.93 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -47.91 83.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.74 -46.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -50.15 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.253 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.41 -44.85 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.05 -47.05 78.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.235 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.88 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.55 -42.61 88.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.22 -50.75 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -45.3 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -80.47 -3.53 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -99.94 5.19 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 19.79 77.51 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.1 -56.03 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -68.39 -24.97 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.52 109.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -5.76 33.03 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -89.99 160.01 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.4 p -119.8 166.09 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.2 99.92 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -80.18 -15.39 57.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.19 80.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.52 124.66 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mt -130.84 88.45 46.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.24 136.74 61.78 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.697 1.598 . . . . 0.0 111.253 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.46 83.79 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.71 -111.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.33 123.16 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -94.9 154.8 17.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -134.98 137.58 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.1 26.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 113.9 22.79 5.2 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.3 m -119.03 133.66 23.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.61 100.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.73 1.62 . . . . 0.0 111.15 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 52.88 29.95 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.4 32.72 84.47 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -86.58 -13.57 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.187 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.91 -61.1 4.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.5 m -70.16 84.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 111.186 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.48 177.53 54.09 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -129.69 60.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.76 91.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.05 80.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.9 137.63 54.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -140.69 107.97 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.9 pt -130.03 159.41 70.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.35 157.09 25.75 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.612 . . . . 0.0 111.204 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.04 110.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.05 140.03 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.4 p -121.92 -13.1 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -109.97 150.05 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.269 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -99.37 -23.45 15.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 5.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 95.3 m-20 -100.03 150.13 36.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 76.7 Cg_exo -55.17 155.68 18.71 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.716 1.61 . . . . 0.0 111.252 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.34 67.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.202 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -87.32 147.48 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -98.85 75.9 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.87 -175.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.5 m -52.58 111.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.48 -10.68 65.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.58 144.96 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.5 mtp -126.19 122.17 34.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.201 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 90.7 p -126.71 166.18 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.5 ttm -109.78 134.71 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.04 127.75 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -135.32 155.05 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.224 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -130.0 9.93 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.62 -131.67 4.27 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.27 138.09 36.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 58.25 54.96 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.3 p -132.16 -10.06 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.0 154.95 49.34 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.8 p -151.71 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.5 p -134.71 -2.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -74.49 120.44 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -131.28 165.74 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.211 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -115.64 153.45 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 69.5 mt -125.39 112.36 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 162.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -80.68 125.65 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -91.57 -48.74 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 74.3 mm-40 -119.91 146.89 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 172.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 88.9 Cg_exo -52.72 137.88 59.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.245 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -129.89 97.41 23.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -57.16 -32.18 92.68 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.659 1.572 . . . . 0.0 111.202 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -69.76 -19.0 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -171.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.32 -4.45 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -63.65 107.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.02 -4.94 68.29 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.61 -46.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.186 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.27 170.87 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.5 m -94.34 108.68 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.4 t -76.27 129.92 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -126.47 -15.94 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -155.27 -176.02 26.98 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -159.89 127.74 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.186 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.32 134.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -116.45 -21.98 8.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.4 t -154.47 140.25 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.256 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.83 6.97 57.91 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.9 -28.66 57.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 111.198 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.8 -30.14 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.201 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.04 -39.59 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.68 -43.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.97 -40.01 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.0 p -105.73 15.08 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.4 ttm -70.02 135.57 49.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.67 140.88 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -59.48 109.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 172.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.79 19.96 41.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.03 134.0 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.7 t -85.57 130.12 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.8 mtm -81.27 99.99 8.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.189 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.74 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -150.08 110.17 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -176.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.87 117.39 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -129.79 149.21 51.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.22 141.9 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -145.57 164.88 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.43 140.34 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -159.89 79.87 2.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.258 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.725 1.617 . . . . 0.0 111.163 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -101.46 135.3 43.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.18 164.63 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 142' ' ' VAL . . . -158.05 172.73 35.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -158.3 159.95 36.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 tt -144.17 134.17 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.42 140.01 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.4 mtp -93.83 161.08 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -70.85 -10.81 60.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -85.52 -0.05 53.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.12 66.47 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 152.35 39.58 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.97 122.49 26.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.71 117.12 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -111.16 129.98 55.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -138.39 157.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 -171.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -103.18 155.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.04 152.62 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.28 79.16 73.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.92 -31.65 74.56 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.658 1.572 . . . . 0.0 111.208 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.72 -30.58 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.82 -41.67 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 27' ' ' THR . . . -143.54 85.22 9.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.14 -59.76 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.655 1.57 . . . . 0.0 111.164 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -72.31 -37.84 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . 95.1 m -58.54 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.84 -42.53 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.35 69.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.251 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.3 -45.22 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.8 -43.65 90.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.21 -40.09 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -47.51 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.8 -48.89 78.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.33 95.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -66.87 -29.9 69.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -81.39 -5.01 57.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.06 24.58 71.23 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.64 -42.28 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HA ' HD12 ' A' ' 43' ' ' LEU . 98.8 m-85 -83.37 -3.49 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -173.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.93 101.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.38 -5.04 29.84 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 40' ' ' TYR . 33.4 mt -80.06 170.86 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.17 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -128.2 169.61 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.52 149.51 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.05 -42.2 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -174.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -154.77 86.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.184 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.38 129.27 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.63 95.07 43.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.06 118.72 5.29 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.161 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.41 -13.1 56.96 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -134.68 -167.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.224 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.97 139.09 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -121.08 139.67 53.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -107.88 129.97 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.2 173.84 27.2 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.58 36.13 1.95 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m -119.26 146.41 40.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 111.28 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.91 -21.25 11.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.18 0.02 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 25.84 74.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -96.82 1.91 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.22 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.19 78.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -126.22 119.96 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.13 161.13 50.49 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -129.99 20.36 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 111.153 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.43 -50.48 31.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.86 -7.81 73.64 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -75.26 155.34 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -121.43 118.33 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.206 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.41 128.26 28.65 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HA ' ' H ' ' A' ' 95' ' ' ASP . 89.2 Cg_endo -78.3 153.02 27.5 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.754 1.636 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.6 t -75.13 111.04 9.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -117.13 50.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.2 p -94.1 1.25 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -100.1 20.0 15.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -99.65 -120.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.38 151.95 78.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.214 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.52 146.19 34.57 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.758 1.639 . . . . 0.0 111.228 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -141.95 154.96 45.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.54 126.9 21.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -84.81 76.36 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.9 m -111.75 -172.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.4 m -53.12 117.62 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -19.95 49.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.79 141.62 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -171.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.0 mtp -125.58 126.04 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.4 p -136.96 144.5 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.91 143.25 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.95 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -157.61 178.19 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -130.03 -0.37 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.05 -165.49 38.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -70.02 121.82 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.452 ' H ' ' HA ' ' A' ' 72' ' ' PRO . 66.1 m-20 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.4 p -128.82 0.77 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.33 31.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.4 p -113.08 -171.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.97 -8.61 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.29 146.28 49.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -137.36 157.52 46.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.45 133.26 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.5 mt -112.04 121.43 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.8 t -92.97 135.21 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -98.96 -30.05 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.05 136.64 26.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -171.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 80.5 Cg_exo -46.48 118.48 2.57 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.703 1.602 . . . . 0.0 111.16 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.4 90.63 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -56.35 -25.84 59.15 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.656 1.571 . . . . 0.0 111.243 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -62.67 -22.74 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.33 -17.3 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.37 128.37 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.74 -8.52 79.18 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -89.9 -42.45 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.09 157.04 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.4 m -90.07 108.56 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.03 132.67 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -127.46 -18.94 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -165.91 -175.3 36.23 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -158.74 130.76 6.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.226 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.26 132.18 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.9 p -115.57 -27.06 7.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.7 m -138.2 148.11 44.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.63 55.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.59 -28.97 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.222 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.61 -33.02 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.85 -45.21 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.51 -44.81 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -77.6 -9.98 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.8 p -113.19 16.0 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.0 mtt -64.96 154.99 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.91 154.28 44.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -67.01 110.33 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 5.91 33.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.81 150.7 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.52 133.18 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 61.7 mtm -88.11 115.22 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 -51.49 64.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -165.75 159.96 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.53 139.93 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.254 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -145.11 150.31 36.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.403 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.7 m -128.75 164.42 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.59 153.84 23.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.99 120.01 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -80.22 119.33 76.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.648 1.565 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -139.99 148.38 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -130.41 171.66 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.13 159.31 28.05 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -145.33 129.09 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.3 mt -113.09 119.44 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.98 129.84 44.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.6 mmt -98.16 152.61 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 -175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.61 -19.59 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.07 1.52 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 -0.71 59.96 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.64 142.06 43.25 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.13 105.88 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.212 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.81 108.67 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.243 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -107.74 131.9 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 31.6 p90 -146.92 164.34 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -170.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.35 147.26 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.39 149.97 24.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -130.48 83.43 62.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.27 -29.77 48.61 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.753 1.635 . . . . 0.0 111.18 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.44 -28.13 67.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -83.38 -40.84 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.54 88.1 4.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -54.95 -59.8 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.686 1.59 . . . . 0.0 111.218 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.59 -40.11 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.2 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -61.15 -45.48 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.59 -42.46 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.37 85.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -67.16 -37.37 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.46 -51.28 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.12 -46.77 87.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.63 -47.06 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.248 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.33 -48.45 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.07 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.93 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.36 -5.47 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.4 21.01 61.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.49 -55.71 21.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 0.0 111.115 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -73.69 -26.89 60.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -70.02 101.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.86 4.68 56.77 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD22 ' HA2' ' A' ' 57' ' ' GLY . 16.1 tp -72.87 145.31 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -119.58 146.52 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.202 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -90.31 154.57 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 172.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -131.58 -14.91 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 88.0 mmt-85 -139.92 76.63 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.2 t -89.95 124.64 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.188 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.12 92.93 44.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.202 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.02 133.0 55.05 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.743 1.628 . . . . 0.0 111.218 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.25 84.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.1 -84.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.3 140.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.2 p -108.4 134.4 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 47' ' ' ARG . 63.1 tt0 -114.48 130.54 56.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.01 -178.42 16.35 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' HA2' HD22 ' A' ' 43' ' ' LEU . . . 137.13 15.53 0.79 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.8 151.91 44.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.29 -22.73 5.61 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.653 1.569 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -123.77 -20.08 5.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.49 21.86 42.6 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -94.52 5.11 52.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.0 -7.33 62.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -96.27 122.28 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.198 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.96 142.52 45.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.23 -70.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.78 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.13 19.41 78.57 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -69.03 149.97 48.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.715 0.293 . . . . 0.0 111.244 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -90.96 124.44 35.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.73 128.84 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.92 152.89 25.18 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.614 1.543 . . . . 0.0 111.288 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.29 123.47 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -118.44 134.08 55.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.6 p -120.76 -11.22 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -110.02 148.95 30.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -98.22 -30.96 12.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 5.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -88.42 150.09 45.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.8 172.0 17.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.709 1.606 . . . . 0.0 111.195 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -117.18 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -174.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -137.59 129.36 28.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -103.36 82.68 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.2 m -125.46 179.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.211 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.3 m -45.76 111.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.87 56.79 2.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.03 146.39 50.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.246 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.65 122.23 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.2 p -135.99 157.05 47.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.5 mmm -95.03 140.04 30.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 176.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.04 133.03 36.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -156.01 179.24 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.82 32.64 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.46 -173.31 21.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -69.98 121.21 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.18 39.58 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.5 p -129.84 3.33 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.94 54.2 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.2 p -121.24 -169.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.3 -9.04 59.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.212 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.78 149.98 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -148.26 159.68 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.23 139.08 48.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.0 mt -116.16 116.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 162.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.1 t -86.01 130.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.215 -167.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 129' ' ' ARG . 35.2 m170 -93.98 -37.93 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -141.66 157.84 64.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 173.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 47.0 Cg_exo -45.25 121.05 3.45 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.725 1.617 . . . . 0.0 111.231 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -129.91 97.14 24.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.97 -30.06 76.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.676 1.584 . . . . 0.0 111.205 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.67 -36.87 72.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.96 -22.89 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.8 120.03 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.84 5.15 84.2 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.31 -40.82 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -112.31 169.98 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.1 m -96.48 109.92 22.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.84 133.4 30.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -122.19 -14.72 7.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.09 168.31 36.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -141.72 142.81 33.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.213 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.405 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 87.3 t -77.54 133.63 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -116.08 -24.73 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t -145.01 139.51 27.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.26 53.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.4 mtp -61.13 -35.04 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.193 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.05 -40.79 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.54 -51.96 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HA ' ' HB3' ' A' ' 105' ' ' HIS . 78.9 ttt-85 -55.66 -40.07 71.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 41.4 p -106.77 40.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -56.0 140.11 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.18 149.93 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.407 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 55.9 t-20 -66.68 115.61 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.49 23.28 58.72 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -44.8 132.83 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.43 131.56 62.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.16 147.94 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.12 -48.52 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -157.19 130.0 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.24 129.96 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.34 149.11 45.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.3 138.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -125.16 108.7 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -171.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.88 129.94 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -111.4 154.95 43.54 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 1 C--O 1.0 -11.394 0 C-N-CA 121.743 1.628 . . . . 0.0 111.195 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -129.94 155.91 45.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 140.46 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.17 179.52 19.36 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.22 150.01 31.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -116.35 113.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 172.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -89.97 122.21 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 169.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mmm -90.14 151.38 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -59.97 -26.38 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.232 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -92.82 15.07 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.94 74.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 170.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.13 151.64 49.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.03 119.98 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.68 102.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -91.32 138.31 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -144.55 158.92 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -172.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.42 136.68 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.52 144.63 31.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.188 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -122.78 95.04 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.03 -30.18 58.36 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.663 1.575 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.7 -36.5 81.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.18 -43.47 67.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.69 93.22 1.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.8 -47.42 26.77 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.663 1.575 . . . . 0.0 111.247 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.15 -47.32 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.3 m -62.83 -44.72 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.25 -45.99 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.27 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.91 85.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.202 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.64 -43.89 88.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.3 -48.59 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.94 -49.96 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.243 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.02 -53.98 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -58.59 -49.73 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.52 83.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -79.43 -3.97 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.63 -0.01 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 172.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.59 20.58 63.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.83 -53.56 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.99 -22.42 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 109.89 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.26 -8.13 30.82 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.83 160.01 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 136' ' ' VAL . 34.3 p -120.18 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -170.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.02 96.98 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 167.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -79.81 -14.79 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -165.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -137.72 80.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.16 122.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.7 mt -131.85 86.55 47.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.95 137.63 73.45 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.755 1.637 . . . . 0.0 111.222 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.98 -10.54 70.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.79 -112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.205 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.03 126.7 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -91.5 154.96 18.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.5 137.65 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.3 -175.32 27.13 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 22.02 6.47 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -116.45 132.29 23.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 -174.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.93 106.43 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.712 1.608 . . . . 0.0 111.158 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 51.18 30.02 5.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.95 37.95 94.89 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.92 7.27 45.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.234 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.25 -76.78 1.91 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -84.19 123.36 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.67 -161.68 26.94 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -136.74 58.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -40.0 74.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 10.89 75.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.91 122.36 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -134.05 113.06 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 pt -129.29 158.0 74.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.43 155.23 36.39 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.737 1.625 . . . . 0.0 111.226 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.1 t -51.54 122.44 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 174.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -95.31 141.32 29.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.16 -15.86 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -108.48 149.83 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -99.82 -30.2 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 6.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.9 m-20 -91.05 150.55 41.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -174.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 67.7 Cg_exo -54.96 155.07 19.48 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.714 1.609 . . . . 0.0 111.16 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.405 ' HB3' ' H ' ' A' ' 117' ' ' VAL . 92.1 m-70 -120.1 70.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.179 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -90.02 133.8 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -83.76 71.75 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -82.84 -178.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -56.62 118.39 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.04 -11.29 69.58 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.67 143.77 29.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.7 mtp -125.89 117.87 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 96.2 p -122.24 153.12 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -175.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.0 tpp -90.25 134.28 34.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.78 122.53 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -134.84 147.67 49.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -120.0 -9.21 9.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.6 -136.64 4.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -82.76 130.53 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 56.41 49.68 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -121.68 -5.05 9.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.44 156.24 48.73 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.6 p -152.36 -128.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.97 -1.91 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -75.31 124.13 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -132.36 161.48 33.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -174.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -110.67 153.79 24.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.1 mt -125.98 111.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 163.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.11 118.5 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -80.05 -58.12 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 75.5 mm-40 -112.42 144.38 30.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 88.8 Cg_exo -54.92 136.99 74.77 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.723 1.615 . . . . 0.0 111.227 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -126.95 90.14 50.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -56.34 -31.34 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.721 1.614 . . . . 0.0 111.218 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -76.24 -9.95 59.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.252 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -98.54 -1.51 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -62.83 108.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.226 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.51 -5.02 70.19 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.1 t -76.62 -49.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -113.37 171.49 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.7 m -94.64 93.82 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 96.4 t -62.82 120.67 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 171.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.71 -14.61 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.26 -177.36 23.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -159.13 129.88 6.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.18 134.32 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.9 p -111.45 -23.17 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -158.44 130.95 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.51 19.2 4.64 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.78 -30.63 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -64.52 -44.38 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.36 -38.15 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.22 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.1 -57.11 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -66.07 -23.8 66.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -173.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.1 p -100.16 7.09 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -64.99 139.24 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 135' ' ' ASP . 87.7 tttt -82.29 139.79 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -60.07 118.75 6.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.214 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.68 15.12 57.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 39.9 t0 -56.83 135.06 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.209 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 44' ' ' THR . 59.5 t -92.14 133.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -172.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.9 mtm -83.89 116.57 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.85 -41.9 20.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.47 113.01 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.72 115.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.22 148.57 51.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.01 142.09 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -143.3 170.37 15.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -80.22 137.08 36.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.1 70.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 -176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.392 0 C-N-CA 121.662 1.575 . . . . 0.0 111.144 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.27 139.17 45.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -152.37 -179.96 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.13 -173.83 40.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -154.33 158.63 40.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.36 111.5 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.9 tp -85.58 114.99 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 99.4 mmm -82.08 156.51 24.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.06 -26.39 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -89.98 0.27 57.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.53 69.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.87 65.01 4.02 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -69.95 128.41 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -120.0 154.42 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -123.58 139.94 53.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -141.16 164.11 31.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.15 156.68 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.61 159.04 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 -174.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -129.81 78.31 75.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.6 -17.6 57.32 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.713 1.608 . . . . 0.0 111.13 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.16 -23.38 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -98.1 -32.95 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.7 79.61 13.45 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -53.66 -52.4 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.64 1.56 . . . . 0.0 111.202 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.16 -49.94 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -173.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.2 m -65.0 -42.69 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -173.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.07 -44.37 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.98 78.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.269 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.45 -32.64 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.72 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 173.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.17 -46.47 85.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.29 -43.76 92.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.93 -49.41 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.8 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.54 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -89.9 5.83 44.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.23 71.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -75.13 -10.42 59.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -111.52 9.3 21.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.263 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -98.36 119.53 37.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.66 5.98 73.85 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.26 166.56 18.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -122.91 165.06 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -86.4 115.35 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -47.57 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -158.6 120.12 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.16 120.3 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.5 mt -116.08 97.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.78 126.6 23.01 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.702 1.602 . . . . 0.0 111.143 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.72 10.9 71.98 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.68 -86.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.177 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 m -146.3 155.72 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -117.05 110.01 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 170.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -97.87 126.89 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.09 50.47 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.15 -129.45 4.79 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 p -162.09 162.97 19.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.06 -31.2 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.723 1.615 . . . . 0.0 111.218 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -76.53 -26.94 55.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.02 14.83 81.45 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -101.98 -4.14 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.59 70.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -115.88 120.97 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.207 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.45 144.44 48.79 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -150.36 40.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 0.0 111.154 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.92 -26.75 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 -5.06 65.53 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -83.52 68.81 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.8 m -82.79 111.88 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 pt -122.76 157.66 59.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -170.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.16 163.09 39.02 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.644 1.562 . . . . 0.0 111.171 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 94.0 m -95.05 145.75 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -100.83 -7.0 24.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -172.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.1 p -79.07 -7.68 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -73.84 -26.85 60.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -117.84 -18.65 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -146.91 77.95 10.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.307 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -52.07 139.72 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.621 1.547 . . . . 0.0 111.22 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -116.66 140.58 49.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -90.06 147.09 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -113.67 105.65 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.85 179.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.267 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.3 m -54.87 118.06 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.07 -22.11 28.04 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 143.52 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.437 ' HG2' HG12 ' A' ' 103' ' ' ILE . 96.0 mtp -115.39 115.13 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.203 173.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -124.45 132.76 53.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.76 144.48 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.274 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.28 154.99 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.189 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -141.24 169.76 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -111.49 29.92 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.34 -175.7 21.01 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.18 131.48 46.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.38 40.81 30.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.245 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 96' ' ' THR . 39.1 m -135.74 49.29 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.96 142.32 25.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.1 p -108.34 -169.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 -176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.7 p -82.8 -4.2 57.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -89.96 148.55 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -147.52 172.47 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -144.91 150.03 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.253 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.437 HG12 ' HG2' ' A' ' 87' ' ' MET . 77.5 mt -107.08 120.86 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.5 t -80.3 132.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -113.23 -26.71 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.271 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -122.5 129.26 25.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.69 131.19 36.69 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.677 1.585 . . . . 0.0 111.201 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -134.67 99.95 12.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.7 -30.93 77.83 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.673 1.582 . . . . 0.0 111.229 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -69.91 -18.83 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.81 -14.84 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -62.36 123.65 18.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.03 82.34 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -94.57 -50.87 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.182 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -109.59 149.51 29.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.6 m -85.25 116.25 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.03 130.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -120.34 -13.06 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -171.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.9 -167.44 33.51 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -159.12 149.95 19.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.1 t -76.95 130.56 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.7 p -113.26 -21.06 11.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 -172.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -147.6 135.54 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.26 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.1 ttp -55.29 -40.02 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.72 -43.21 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.61 -47.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.68 -37.13 77.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.6 p -94.55 16.02 16.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -174.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.6 mtt -66.72 159.93 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -99.92 161.74 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.05 110.3 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.25 14.15 56.33 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -57.72 133.11 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.188 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.7 t -91.34 127.82 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 -168.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.7 mtm -87.05 137.16 32.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 170.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.94 -56.67 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.216 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.68 142.2 36.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.75 119.21 47.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.14 139.89 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.38 133.52 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.0 164.89 34.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.42 138.14 31.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.59 130.07 24.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 1 C--O 1.0 -11.412 0 C-N-CA 121.696 1.597 . . . . 0.0 111.193 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.5 137.1 49.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -137.9 177.22 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.43 -177.46 41.19 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -153.72 157.64 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.8 mt -118.24 110.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.95 115.23 22.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 174.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.0 mmm -82.66 155.41 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.95 -29.76 68.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -87.58 1.99 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.58 7.62 71.67 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.02 63.4 4.4 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -67.4 129.8 41.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.205 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 pt -115.97 153.12 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.07 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -145.96 161.6 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.63 162.32 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt -120.56 157.46 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -127.57 75.6 77.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.97 -19.39 58.0 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.642 1.561 . . . . 0.0 111.189 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.92 -22.8 59.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.229 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -103.67 -31.97 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.7 72.17 36.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.81 -51.18 10.93 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.666 1.578 . . . . 0.0 111.22 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.79 -50.83 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -171.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -42.0 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.85 -45.15 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.68 87.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -63.35 -45.86 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -57.3 -47.99 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.62 -48.47 79.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.27 -50.02 65.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.54 -49.68 72.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.34 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -79.81 0.87 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -106.54 4.26 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.266 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.42 17.17 69.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 172.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.63 -46.27 87.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.0 m-85 -84.24 -7.13 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -70.01 110.05 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.24 -8.9 49.43 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 40' ' ' TYR . 24.7 mt -82.29 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.177 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.4 p -121.23 168.83 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -171.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 73.5 m-85 -94.01 109.78 21.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -69.34 -41.15 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -139.96 91.36 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.58 112.5 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 54.1 mt -123.11 96.85 44.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 58.6 Cg_endo -68.37 139.81 46.57 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.667 1.578 . . . . 0.0 111.126 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.16 4.95 86.19 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -146.16 -96.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.238 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.27 128.82 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -98.17 106.22 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -98.6 132.54 43.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -75.34 167.48 54.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.04 -137.39 9.53 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.24 164.26 18.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.11 -30.85 72.61 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.704 1.602 . . . . 0.0 111.205 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -76.34 -23.61 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.86 80.55 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.04 -10.62 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.52 67.68 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -112.95 112.71 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.703 0.287 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.07 146.87 45.28 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.09 42.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.207 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.94 55.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 -5.24 57.58 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.83 67.24 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -76.93 120.15 21.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.12 155.13 55.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.29 158.27 52.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.718 1.612 . . . . 0.0 111.171 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.0 m -91.76 139.03 31.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.34 -10.69 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.7 p -70.76 -16.26 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.191 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -68.18 -27.69 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -103.85 -30.64 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.29 90.98 3.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -53.18 135.71 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.715 1.61 . . . . 0.0 111.171 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -105.5 138.68 41.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.05 148.77 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -110.07 109.53 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.87 177.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -57.08 121.04 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 -22.56 32.74 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.28 143.23 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.6 ttm -116.59 117.27 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 44.1 t -125.39 135.32 52.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -167.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.0 tpp -76.52 133.17 39.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.39 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.257 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -141.57 169.85 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -112.81 30.16 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.58 -178.2 19.28 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.72 132.43 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.45 36.94 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 96' ' ' THR . 36.8 m -133.09 48.7 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.27 142.75 26.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -109.36 -169.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.135 -177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.37 -15.2 58.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -75.77 143.57 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.69 169.9 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.57 148.84 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.8 mt -104.96 121.15 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.43 132.8 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.53 -32.37 6.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -115.4 128.02 26.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.6 140.42 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.635 1.556 . . . . 0.0 111.289 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -129.34 89.69 46.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -56.98 -31.54 90.19 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.757 1.638 . . . . 0.0 111.225 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -77.38 -9.95 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.23 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.63 2.85 52.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.234 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.31 108.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.72 2.73 81.41 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -87.52 -55.0 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.75 151.06 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.3 m -87.0 108.92 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.5 t -74.04 127.03 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 170.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -126.76 -14.69 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -171.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -152.66 -176.41 25.21 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -159.89 129.92 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.49 129.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 82.7 p -113.75 -20.71 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -148.46 136.12 20.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.04 60.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -56.18 -37.78 70.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.703 0.287 . . . . 0.0 111.111 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.238 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.88 -42.31 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.47 -46.97 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.54 -29.95 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.6 p -96.64 8.11 44.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.215 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.58 156.08 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.54 161.2 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.233 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.93 115.85 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.09 9.5 60.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -59.98 130.17 45.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 111.197 175.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.2 t -90.47 135.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -168.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.9 mtm -88.34 124.65 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -79.52 -43.27 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.84 149.2 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.17 122.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -123.73 140.19 53.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -172.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.5 t -128.13 139.54 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -148.98 168.39 23.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -100.59 147.26 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.25 133.76 10.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 1 C--O 1.0 -11.424 0 C-N-CA 121.676 1.584 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.779 0.323 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.62 130.03 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -143.56 134.31 25.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.59 18.68 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -148.53 146.65 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 111.185 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.62 110.11 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -87.39 121.82 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 172.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mmm -90.59 153.82 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.92 -21.61 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -88.69 4.63 46.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.58 4.62 67.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.52 144.95 44.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -128.9 96.39 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.716 0.294 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -94.32 103.63 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.8 128.05 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.2 p90 -144.72 151.11 38.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -107.3 147.74 29.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.9 mt -109.27 158.83 17.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -119.79 82.3 27.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.97 -5.98 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.726 1.617 . . . . 0.0 111.185 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 -16.82 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -107.44 -29.28 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.24 71.31 3.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.23 -31.76 89.94 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.7 1.6 . . . . 0.0 111.128 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.83 -49.17 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -69.86 -36.46 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.253 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.67 -43.88 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.78 94.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -50.63 -63.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.77 -51.85 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.8 -48.66 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.21 -48.22 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.77 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.5 -16.67 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.73 1.62 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.8 70.19 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.99 -56.45 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.729 0.299 . . . . 0.0 111.181 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -68.89 -29.01 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.203 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -57.61 110.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 -22.93 17.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -81.14 168.05 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.0 p -125.31 175.13 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -169.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -98.94 100.15 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -80.65 -17.64 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -166.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -139.61 84.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -94.44 127.22 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -124.92 91.27 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.25 130.82 39.64 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.681 1.588 . . . . 0.0 111.219 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -8.33 67.98 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -129.9 -90.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.212 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.7 133.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -175.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.2 p -102.38 152.81 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -124.25 140.17 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.94 -177.5 34.1 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.84 40.77 9.23 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -119.12 140.68 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.199 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.43 -20.34 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.646 1.564 . . . . 0.0 111.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -101.28 -49.97 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.194 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.99 36.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -107.22 7.12 29.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.01 -22.34 27.74 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.0 p -121.24 -37.47 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.66 -173.74 52.78 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -150.21 42.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.227 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.1 -42.69 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 16.75 80.49 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -75.55 150.01 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.72 0.295 . . . . 0.0 111.238 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 p -127.01 58.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.229 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.59 124.82 89.99 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.212 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.17 149.06 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.688 1.592 . . . . 0.0 111.194 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 87.2 m -102.37 95.02 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.205 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.93 146.81 54.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.2 p -125.02 -9.54 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -106.81 146.57 30.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -84.94 -33.32 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 0.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -169.71 90.26 0.55 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.67 151.22 10.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.686 1.591 . . . . 0.0 111.202 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.07 -171.26 2.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -109.64 151.77 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.81 69.93 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.9 -165.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.8 m -51.23 113.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.252 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.37 -9.61 69.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.08 145.92 34.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.28 116.47 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.233 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 85.2 p -116.65 168.93 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -177.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.9 tpp -114.92 129.84 56.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.31 154.93 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -141.36 166.29 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -120.05 40.02 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -167.99 22.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -69.96 130.0 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 50.54 43.63 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 96' ' ' THR . 38.8 m -139.69 61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.15 152.29 36.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 p -115.6 -163.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.251 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.82 -16.39 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.85 127.04 31.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -134.78 163.82 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -171.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -109.81 153.12 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.7 mt -125.3 109.67 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 158.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.28 134.33 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -100.02 -40.27 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.97 151.3 78.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -49.96 137.23 36.3 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.739 1.626 . . . . 0.0 111.191 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -129.99 98.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.38 -25.51 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.726 1.618 . . . . 0.0 111.215 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.82 -19.55 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.99 110.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.235 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.17 4.79 68.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.81 -50.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -118.47 -179.36 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -109.35 122.72 47.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 84.2 t -80.53 131.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -126.11 -12.43 6.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 -173.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.91 179.04 28.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.33 130.16 7.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 85.3 t -65.06 134.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -116.76 -21.91 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -152.29 145.14 24.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.33 20.4 35.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.51 -33.13 72.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.73 -40.59 95.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.05 -42.42 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.81 -46.45 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.2 p -95.11 14.65 21.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.95 140.94 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -111.2 152.54 26.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.03 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.62 2.91 64.9 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.96 139.43 57.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.36 132.33 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -171.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.3 mtm -81.08 100.66 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.54 -48.91 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -150.12 112.12 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.28 121.48 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -146.97 151.66 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.07 138.98 52.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -136.27 170.12 16.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -96.44 133.71 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -128.96 129.93 23.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 1 C--O 1.0 -11.409 0 C-N-CA 121.701 1.601 . . . . 0.0 111.214 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.766 0.317 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -100.06 125.53 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -136.35 129.91 32.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.69 159.1 14.63 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -140.51 128.35 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.315 . . . . 0.0 111.237 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -113.62 115.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp -90.32 119.94 31.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -86.47 154.9 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.49 -4.34 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -96.85 4.82 51.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.44 6.93 70.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.86 136.41 33.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -116.14 94.78 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.69 111.88 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.6 p90 -147.17 151.92 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -175.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.95 154.0 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.01 150.98 27.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.225 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.73 77.87 73.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.88 -15.7 49.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.702 1.601 . . . . 0.0 111.248 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.16 -22.85 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.44 -39.97 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.51 86.07 5.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.3 -48.37 22.12 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.736 1.624 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.95 -49.73 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.0 m -61.86 -43.79 98.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.84 -45.32 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.96 85.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.81 -49.14 78.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.24 -49.3 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.59 -50.6 71.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.3 -49.16 78.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.89 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.91 -17.31 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -84.49 -4.12 58.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.68 61.49 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.08 -58.69 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.169 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 43' ' ' LEU . 63.0 m-85 -69.66 -26.62 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -176.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.41 110.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.263 173.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.32 -6.04 36.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.5 mt -88.65 163.44 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 p -123.3 170.05 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.445 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 75.0 m-85 -94.57 107.67 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 174.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -73.38 -19.5 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.191 -167.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -159.75 91.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -91.34 119.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.19 91.09 47.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.93 130.08 38.72 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.765 1.643 . . . . 0.0 111.173 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.13 68.69 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 53' ' ' VAL . 16.7 t80 -139.97 -93.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 174.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 52' ' ' PHE . 18.4 m -139.99 155.17 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 173.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -111.92 103.0 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -89.87 139.78 30.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -161.35 178.38 37.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.68 20.99 4.81 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -114.45 140.7 25.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.45 -20.23 12.54 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.672 1.581 . . . . 0.0 111.288 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.84 -20.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.291 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.46 28.91 51.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -104.48 6.81 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.44 -5.14 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -112.48 120.46 41.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.96 174.12 53.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -103.27 29.76 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.253 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.2 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.17 -0.8 88.87 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.07 176.31 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.224 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.4 m -92.28 137.86 32.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.2 pt -119.11 156.58 52.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.37 140.72 19.63 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.683 1.589 . . . . 0.0 111.123 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 70.7 m -128.79 141.26 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -104.61 120.49 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -172.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -100.54 -16.15 17.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.259 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.91 150.93 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -100.11 -20.12 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 3.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.23 125.38 86.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -54.78 156.5 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -120.05 100.31 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.19 -29.43 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -169.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.8 m80 55.67 74.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.08 178.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -55.21 119.57 5.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.9 57.85 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.59 147.74 48.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.7 mtp -120.6 126.78 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 34.9 t -136.36 138.11 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -169.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.3 mtp -89.94 145.47 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.29 134.31 34.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -151.89 169.97 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 175.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.86 37.77 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.75 171.86 12.34 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -70.05 133.83 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.218 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 58.76 30.82 20.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.244 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -153.04 78.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.79 -174.72 16.28 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.0 p -119.93 178.45 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 111.213 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 82.3 m -77.85 -7.29 56.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.34 148.79 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -141.74 176.66 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.3 150.0 24.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.76 127.86 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.19 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.0 t -81.89 129.89 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -92.91 -41.62 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -127.08 150.11 71.22 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.67 127.38 25.2 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.685 1.59 . . . . 0.0 111.228 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -136.25 82.99 33.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.272 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.19 -25.28 63.56 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.678 1.585 . . . . 0.0 111.231 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -64.63 -21.09 66.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.83 -11.59 55.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.58 107.37 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.77 57.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.08 -43.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.245 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.01 174.51 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.2 173.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.6 m -119.54 109.89 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 63.2 t -65.52 133.24 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 169.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.4 -17.78 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.3 -173.21 29.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -157.86 131.61 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.434 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 86.1 t -65.48 133.21 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.201 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.3 p -115.93 -21.85 9.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.5 t -151.41 140.04 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.224 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.28 17.19 47.45 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.1 tpt -58.11 -30.79 66.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.204 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.68 -45.45 92.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.24 -41.86 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.03 -48.4 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.61 -30.18 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -98.51 20.95 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 55.0 mtt -64.88 156.01 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -123.43 159.45 28.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -69.78 102.64 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.1 31.18 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.21 146.69 32.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.83 130.71 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -165.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -85.52 103.87 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -47.9 76.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -150.08 112.12 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.84 132.98 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -161.16 152.35 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.6 t -131.48 137.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.78 166.41 16.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -99.93 80.07 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.02 128.27 91.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 1 C--O 1.0 -11.413 0 C-N-CA 121.724 1.616 . . . . 0.0 111.182 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -145.84 171.34 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -152.52 173.09 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.71 -172.18 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.52 149.88 22.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.52 123.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 tp -92.34 118.28 30.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mmm -89.15 154.24 20.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.23 -19.35 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.213 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -88.32 -1.35 57.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.96 -0.76 64.69 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.41 53.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.61 125.99 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.227 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -119.17 101.39 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.226 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -91.83 135.93 33.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -145.83 152.26 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.209 -173.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.32 160.64 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.06 155.27 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -122.65 77.49 47.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.71 -14.14 32.83 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.786 1.657 . . . . 0.0 111.139 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -90.09 -6.2 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -113.91 -34.76 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.51 71.47 14.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.193 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.05 -30.76 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.714 1.609 . . . . 0.0 111.182 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.08 -17.76 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.229 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -102.87 -44.03 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.9 -40.18 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.01 82.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.253 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -70.06 -37.67 75.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.1 -52.13 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 175.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -57.79 -49.92 74.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.43 -56.98 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.13 -41.83 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.4 56.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.17 -23.9 59.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.45 6.06 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.6 18.65 67.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 166.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.97 -20.77 44.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.252 176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -100.03 23.9 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.239 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.81 115.73 27.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.3 19.9 47.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.91 145.04 54.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -113.54 143.79 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 49.5 m-85 -81.63 157.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -120.01 -47.71 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -170.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -137.39 89.03 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.07 113.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 84.6 mt -118.12 105.1 47.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.268 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -52.41 123.08 11.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.647 1.565 . . . . 0.0 111.198 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 10.9 64.03 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -139.99 -92.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 111.221 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.23 130.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.213 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.6 p -96.82 74.12 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 102' ' ' PHE . 28.5 tt0 -82.45 125.76 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 -174.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -179.08 -148.77 7.88 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.09 38.09 11.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 52.9 t -108.76 137.27 20.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -54.73 -33.32 79.91 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.656 1.571 . . . . 0.0 111.215 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -113.9 -19.75 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -174.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.03 65.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -100.09 4.04 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.71 0.72 83.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -116.01 110.64 19.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.71 110.91 3.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -107.87 15.52 24.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 111.248 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.34 72.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.227 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.11 14.22 59.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -120.05 140.25 51.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.3 m -125.88 138.13 53.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.3 mt -118.62 131.49 24.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -76.65 166.42 27.22 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.726 1.618 . . . . 0.0 111.174 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.6 93.63 7.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -49.93 110.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -103.14 88.34 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -148.04 -147.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.257 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.94 -29.93 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.197 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -50.0 110.48 1.65 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -61.12 -27.6 84.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.684 1.589 . . . . 0.0 111.184 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 55.28 45.2 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -70.66 118.64 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.97 82.77 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.8 m -125.23 -176.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 177.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 m -47.71 116.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.11 -26.98 13.54 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.51 138.41 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 111.222 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.2 ttm -115.55 122.96 47.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.272 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -139.22 144.67 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -167.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.29 155.39 36.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.217 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.9 110.42 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -102.97 142.61 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -133.53 49.96 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.95 172.03 13.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -59.42 119.71 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 111.268 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 51.85 30.93 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 96' ' ' THR . 75.5 m -116.34 65.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.82 132.96 11.53 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -86.83 -170.81 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.5 p -75.56 -9.32 58.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -79.91 150.05 30.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.01 172.95 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.274 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 55' ' ' GLN . 55.1 p90 -148.15 150.59 34.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.176 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.29 133.07 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 173.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.77 130.13 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -93.27 -32.11 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -140.04 152.23 67.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 86.9 Cg_exo -49.56 117.32 2.88 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 121.739 1.626 . . . . 0.0 111.187 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -121.5 101.6 43.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.34 -25.5 65.82 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.682 1.588 . . . . 0.0 111.232 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -82.14 -5.6 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.73 -23.61 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -55.79 112.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.08 5.2 86.12 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.14 -45.2 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 111.198 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -109.09 -170.92 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.5 m -106.98 111.04 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.25 128.54 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -132.05 -14.92 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.71 27.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.25 128.07 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.03 132.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.255 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.2 p -114.91 -22.89 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 t -156.62 140.26 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.87 13.13 57.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.5 tpt -57.7 -29.9 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.232 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.73 -38.65 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.224 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.42 -50.15 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.203 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -75.23 -22.58 57.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 -173.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.3 p -99.21 11.49 38.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -64.44 145.4 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.71 150.14 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -71.16 112.6 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.212 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 117.41 -1.85 18.51 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -58.78 153.69 16.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.0 129.47 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.233 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.6 mtm -83.34 100.0 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -48.8 -46.19 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -168.35 132.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.249 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.88 128.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.187 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.65 140.35 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.75 134.7 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -132.79 149.7 52.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.12 75.14 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.204 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.11 100.06 27.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.667 1.578 . . . . 0.0 111.173 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.52 149.26 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -159.56 153.51 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.38 140.61 11.86 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -172.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -112.85 136.42 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.54 106.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.01 123.51 32.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 171.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.0 mmm -91.44 153.47 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.0 -20.64 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -94.11 12.09 27.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.63 5.09 67.12 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 172.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.16 157.97 53.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -148.77 100.91 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.143 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.11 117.83 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -112.6 125.23 54.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -142.9 151.64 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.08 161.55 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -120.18 154.73 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.77 75.48 64.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.23 -15.14 45.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.719 1.613 . . . . 0.0 111.202 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.73 -25.97 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.06 -19.72 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.13 72.58 22.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.46 -53.93 5.78 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.65 1.567 . . . . 0.0 111.201 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.67 -49.54 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.235 -171.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -58.17 -49.53 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.186 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.44 -43.37 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.2 73.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.71 -40.94 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.261 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -55.03 -49.8 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.23 -49.93 75.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.52 -41.58 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.98 -50.18 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -79.69 -4.08 50.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -103.32 5.46 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 171.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.42 70.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -70.09 -56.27 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.204 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -73.16 -20.43 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -70.17 86.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.25 15.74 3.01 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 170.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.36 166.77 20.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.184 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 m -112.02 150.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.66 106.57 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.56 -39.85 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.258 -172.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -140.06 89.97 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -78.78 107.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.0 mt -130.35 86.46 53.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.87 140.68 42.86 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.618 . . . . 0.0 111.227 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.35 73.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -134.4 -102.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.9 t -140.29 119.7 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 t -93.41 119.15 32.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -96.94 126.09 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.59 165.01 31.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.53 29.14 2.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.6 m -97.38 140.21 21.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.76 -15.41 13.49 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.663 1.575 . . . . 0.0 111.205 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.45 -5.73 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.31 19.24 79.87 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -99.99 -1.8 36.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 111.177 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.35 3.02 82.24 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -127.15 162.44 26.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 111.187 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.75 162.54 13.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -144.36 -162.53 1.5 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.746 0.308 . . . . 0.0 111.19 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.69 15.84 22.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.21 5.07 76.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -166.33 174.91 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -121.91 160.05 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 pt -127.14 154.5 76.76 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.49 154.4 68.85 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.721 1.614 . . . . 0.0 111.155 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.43 137.64 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -126.73 64.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 78' ' ' ASN . 67.6 p -115.69 -19.92 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.98 -41.44 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.72 41.81 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 75' ' ' THR . 46.1 t30 -122.34 100.19 42.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.53 -25.3 75.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.726 1.618 . . . . 0.0 111.158 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.49 138.72 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -119.04 166.52 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -82.63 73.65 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -119.69 -174.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -51.46 117.61 2.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.73 -28.33 11.62 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.41 138.93 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 -170.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 52.8 ttm -119.73 119.92 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 171.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 39.3 t -124.4 133.89 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -168.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.2 tpp -77.16 128.9 35.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.31 151.55 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.165 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -140.02 169.73 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.84 31.44 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.06 -173.41 21.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -59.95 123.35 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 111.272 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 54.72 40.1 31.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.217 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 96' ' ' THR . 47.3 m -132.13 50.95 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 154.91 51.02 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -116.56 -127.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.177 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 17.9 p -133.18 -11.95 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -72.68 155.64 39.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -145.01 156.36 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.26 131.41 55.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -97.09 105.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.206 166.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.88 126.91 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -109.78 -25.44 10.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 175.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -129.11 133.13 24.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 173.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.27 131.16 17.98 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.697 1.598 . . . . 0.0 111.191 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.38 99.9 26.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.18 -36.04 84.49 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.758 1.639 . . . . 0.0 111.22 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.05 -19.94 64.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.4 mt -113.54 -2.44 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -65.07 104.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.12 5.06 86.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -79.06 -53.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -98.45 -179.83 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 m -100.79 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.4 t -70.74 118.73 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 173.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -124.57 -13.44 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 -170.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.72 179.15 24.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.13 126.93 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.44 129.9 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.1 p -115.19 -20.02 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -155.01 146.74 23.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 23.11 59.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 ptm -67.99 -19.99 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -92.59 4.94 52.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.68 -44.6 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.215 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.02 -31.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.3 p -96.41 -20.82 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 39.0 mmt -71.1 149.97 45.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.227 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -104.59 161.84 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -65.28 134.87 54.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.77 69.65 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.85 147.31 53.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.87 144.24 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.427 ' SD ' HG22 ' A' ' 140' ' ' VAL . 62.3 mtt -73.01 148.85 43.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -103.41 -49.49 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -150.02 112.04 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.427 HG22 ' SD ' ' A' ' 137' ' ' MET . 63.7 t -118.15 127.16 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -144.85 149.85 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -129.94 139.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -149.99 163.9 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -100.98 113.98 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -90.12 123.4 65.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 1 C--O 1.0 -11.399 0 C-N-CA 121.755 1.636 . . . . 0.0 111.211 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.11 178.59 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -137.24 138.73 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.232 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.03 151.88 17.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -126.9 128.24 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.01 117.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 170.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.8 tp -102.64 123.65 46.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mmm -88.87 148.9 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.216 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -64.11 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.05 -11.38 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -4.68 50.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 155.79 50.43 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -130.04 130.02 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.218 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.1 mt -120.54 110.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.224 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -113.54 128.85 56.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.444 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 28.0 p90 -144.34 150.39 37.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.203 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.73 153.59 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -110.37 144.85 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.208 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -130.4 82.05 66.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.92 -14.99 48.2 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.672 1.581 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.45 -24.39 61.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.67 -41.74 11.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.42 90.27 4.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.24 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.31 -56.32 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.668 1.578 . . . . 0.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.89 -40.16 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -45.89 85.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.64 -44.36 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.89 78.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.81 -46.59 87.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -56.54 -46.71 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.243 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.27 -49.72 76.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.266 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.9 -41.02 90.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.67 -49.87 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.46 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.256 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.42 5.03 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.28 5.17 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 167.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.58 22.4 69.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.81 -56.45 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -71.02 -21.63 62.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.02 110.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.46 -5.24 35.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.06 151.67 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.18 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -113.91 166.67 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.01 106.04 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 172.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -77.75 -16.82 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -148.8 76.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.53 120.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.15 96.08 29.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.63 139.87 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.662 1.574 . . . . 0.0 111.215 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.93 -11.89 70.15 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -131.82 -91.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.179 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.82 129.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -93.14 126.79 38.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.29 130.94 53.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.9 -176.33 26.16 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.57 23.53 4.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.62 127.99 26.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -58.94 -34.22 99.03 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.675 1.583 . . . . 0.0 111.172 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.5 -18.91 12.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.88 23.42 61.89 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -100.05 5.17 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 111.198 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.81 3.19 74.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -116.07 118.36 32.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 111.203 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.57 177.26 52.58 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -143.22 80.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.28 155.01 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.41 30.88 9.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -119.9 143.67 47.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -120.65 159.99 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.5 100.01 52.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.39 144.48 96.34 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.722 1.614 . . . . 0.0 111.176 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.4 t -72.5 102.38 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.86 142.9 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.1 p -125.07 -23.7 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -109.96 149.91 29.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -97.45 -30.0 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 3.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -97.28 150.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.31 175.16 11.67 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.705 1.603 . . . . 0.0 111.207 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -106.27 141.19 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.92 96.28 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 -176.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -73.95 71.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.2 m -106.58 -173.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -53.55 117.18 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -22.82 37.89 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.11 139.42 52.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.226 -170.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.6 mtp -123.28 130.36 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.5 p -136.63 164.6 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 69.3 mtp -114.54 143.97 44.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.19 135.08 47.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -149.99 165.54 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -138.62 27.93 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.89 -171.27 21.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.55 133.91 52.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 53.27 30.12 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.5 m -142.17 119.89 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.221 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.42 -161.49 32.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.0 p -142.2 -179.88 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.4 p -83.58 -9.81 58.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.22 147.46 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.63 170.02 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -173.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -126.94 144.02 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.6 mt -119.31 111.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 167.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.13 139.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -170.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.49 -40.19 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.191 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -131.18 158.68 74.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.238 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.6 Cg_exo -49.83 119.49 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.642 1.561 . . . . 0.0 111.168 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 96.9 mm-40 -121.28 89.03 46.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 177.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 108' ' ' GLN . 52.7 Cg_endo -65.07 -20.0 63.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.655 1.57 . . . . 0.0 111.286 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.0 mt -106.42 0.75 25.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -65.66 100.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.26 -4.84 65.04 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.95 -44.23 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -117.78 169.86 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.9 m -97.92 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.2 132.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -128.08 -16.65 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.24 -177.89 33.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -158.38 129.28 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.444 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 88.8 t -64.63 130.94 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.6 p -118.57 -18.82 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.8 t -145.01 142.95 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.264 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.19 15.46 51.33 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.05 -30.1 68.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 111.172 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -57.04 -33.81 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.0 t -79.84 -46.0 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 -43.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -78.28 -10.0 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -115.48 17.64 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 96.7 mtp -67.82 155.37 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.83 152.4 47.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -65.11 127.04 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.78 -4.99 42.8 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -59.6 145.07 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.266 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.3 p -123.6 140.31 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.199 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -81.76 104.86 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.89 -43.61 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -161.21 153.85 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 173.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.81 129.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.34 160.95 37.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.2 t -134.85 133.48 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.09 151.42 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -76.25 77.29 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -123.51 91.32 49.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.414 0 C-N-CA 121.689 1.592 . . . . 0.0 111.214 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.52 144.54 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -135.55 164.76 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.63 160.29 23.73 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -143.06 130.66 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -117.34 111.1 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 tp -90.63 129.91 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 168.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.8 mtt -101.12 154.42 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -60.0 -27.9 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.7 4.89 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.32 -0.89 62.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.66 138.5 44.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.85 96.37 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.257 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -100.65 124.66 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.55 133.16 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 40.7 p90 -144.09 158.23 43.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -173.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.03 155.68 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -113.19 146.87 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.229 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -129.93 83.6 63.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 -174.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.53 -30.33 53.85 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.73 1.62 . . . . 0.0 111.173 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.4 -32.26 72.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.12 -40.31 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.05 87.83 5.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.15 -51.7 9.56 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.683 1.589 . . . . 0.0 111.215 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.37 -41.81 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 m -60.87 -46.56 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.5 -44.96 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.0 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -68.54 -40.73 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -60.32 -47.16 87.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -56.76 -48.71 77.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -50.87 -53.39 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.16 -50.55 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.84 92.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.203 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -83.65 4.49 28.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -107.65 6.13 27.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 168.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.04 20.92 72.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.03 -56.48 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.7 m-85 -74.01 -23.8 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -177.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -61.38 110.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.08 -10.0 36.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.2 mt -85.56 166.39 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.259 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -119.63 -169.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -105.16 153.42 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -92.54 -80.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -99.69 107.42 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.3 t -102.3 123.91 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.9 90.08 43.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -62.46 129.87 28.14 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.703 1.602 . . . . 0.0 111.224 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.87 5.04 78.15 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -132.63 -86.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.251 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.26 130.08 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -118.98 147.08 44.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -110.69 135.31 51.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 164.05 40.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.23 -148.37 19.8 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 31.0 p -151.75 157.92 34.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.225 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 55.6 Cg_endo -69.29 -20.28 37.25 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.173 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -73.49 -28.52 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.222 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.95 15.38 81.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.84 -10.26 21.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -4.98 68.27 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -104.43 110.83 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.213 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.63 138.32 48.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -150.32 96.66 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.139 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.04 -2.73 58.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.24 71.74 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -168.06 178.95 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -119.37 158.49 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.96 115.55 40.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.69 137.16 42.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.713 1.609 . . . . 0.0 111.259 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.4 t -73.58 123.45 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.26 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -104.47 4.65 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.5 m -64.19 -36.9 85.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.02 -33.33 73.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.18 -32.82 59.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -144.58 90.0 6.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.01 143.11 74.79 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -157.69 179.86 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -172.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -126.87 146.49 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.21 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.68 80.3 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.69 -164.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -51.83 116.43 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.31 -11.39 68.98 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 136.99 47.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.414 ' HE3' HG12 ' A' ' 103' ' ' ILE . 59.7 ttm -120.23 118.78 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 94.8 p -125.33 151.02 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -172.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.3 tpp -89.87 133.27 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.269 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.38 130.31 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.479 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 31.0 p80 -159.35 -177.46 6.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 171.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.42 31.94 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.35 -168.44 23.79 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.98 119.8 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 111.227 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.0 t0 69.91 41.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 p -130.62 26.51 5.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.231 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -75.48 154.32 45.61 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -171.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -117.04 -171.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 174.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.9 p -81.06 -10.1 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.262 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -85.65 149.49 25.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -148.94 154.01 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -101.63 127.25 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.414 HG12 ' HE3' ' A' ' 87' ' ' MET . 79.1 mt -96.99 110.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 168.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.39 124.7 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -95.01 -50.0 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -106.56 150.15 39.23 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.2 130.47 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.585 1.524 . . . . 0.0 111.237 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.98 90.09 43.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.25 53.86 4.7 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.678 1.585 . . . . 0.0 111.182 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.71 -23.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.5 2.66 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.92 110.51 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.97 -8.28 70.23 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.52 -40.61 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -127.12 179.17 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -123.71 109.67 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.282 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 70.9 t -67.49 130.14 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 175.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -128.36 -11.88 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -150.96 -176.73 24.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -158.56 127.45 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 111.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.433 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 90.2 t -67.47 133.28 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.6 p -117.68 -21.9 8.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.6 t -147.99 148.53 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.94 15.37 52.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.8 mtp -61.41 -28.56 69.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.219 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.29 -28.42 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.43 -43.0 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 176.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.77 -47.35 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -68.81 -11.13 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.8 p -118.64 19.67 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.5 ttm -58.06 132.91 54.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -80.11 154.45 28.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -66.98 107.77 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 31.01 55.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -50.08 120.12 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.61 122.85 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.5 mtm -85.6 113.37 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.07 -40.76 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -170.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -152.35 109.58 3.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.85 129.81 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.04 159.5 43.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -129.75 139.79 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -142.85 172.57 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -116.05 124.17 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -132.77 130.96 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 1 C--O 1.001 -11.351 0 C-N-CA 121.732 1.621 . . . . 0.0 111.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.775 0.322 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.71 163.72 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -130.46 156.07 45.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -153.49 -179.98 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.35 -167.02 34.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -150.94 149.82 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.145 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.2 mt -109.17 101.86 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 tp -79.87 120.47 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.4 mmm -90.04 147.73 23.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.55 5.34 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.99 58.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.52 170.65 53.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -157.49 127.81 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.44 105.34 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -88.32 132.42 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -139.65 161.37 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -123.21 150.12 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.08 153.12 26.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -127.19 92.46 43.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.14 -28.84 53.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.697 1.598 . . . . 0.0 111.174 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.12 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.81 -43.21 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.32 93.39 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.225 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.71 -46.73 31.15 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.741 1.627 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -47.4 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.4 m -62.72 -46.65 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.08 -48.2 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.0 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.02 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.85 -44.16 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.19 -46.99 87.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.56 -42.62 88.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.32 -50.1 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.252 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.8 83.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.228 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -77.75 -5.14 49.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 -174.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -99.14 3.54 46.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.08 18.41 80.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.76 -41.77 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.15 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' HA ' HD23 ' A' ' 43' ' ' LEU . 70.6 m-85 -85.6 0.15 53.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -171.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -69.95 102.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.23 -1.6 31.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' TYR . 11.1 mp -87.07 142.12 28.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 111.198 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -114.53 165.45 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -170.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -91.96 99.01 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 168.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -81.74 -14.2 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -168.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -134.86 80.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.49 130.15 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -121.78 96.66 46.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.95 122.28 11.4 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.735 1.624 . . . . 0.0 111.212 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.79 -16.3 58.72 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -128.99 -128.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.237 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.87 120.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.1 m -105.95 148.52 27.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -123.82 135.46 53.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.68 176.11 26.69 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.25 24.41 1.45 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -109.98 113.26 57.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.38 102.65 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.736 1.624 . . . . 0.0 111.181 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 50.04 31.27 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.97 59.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -96.13 13.21 28.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.241 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.11 -97.55 2.34 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -115.26 119.7 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.197 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.32 40.65 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -77.34 73.35 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.43 -44.02 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.44 14.82 70.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -124.83 122.81 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -128.68 129.99 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.14 158.52 63.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -87.21 179.47 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.705 1.603 . . . . 0.0 111.177 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.08 109.7 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 170.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -100.4 144.76 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.6 p -129.07 -11.87 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -109.18 149.99 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -99.56 -22.18 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 6.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -98.79 150.14 36.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.01 139.19 70.71 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -110.23 60.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.63 148.53 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -92.9 72.11 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.86 -171.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -54.32 111.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.57 -10.02 66.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.73 144.91 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.208 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.42 122.26 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 97.3 p -124.73 153.76 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -176.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.0 tpp -90.03 130.37 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 132.12 46.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -160.58 -178.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.85 -4.62 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.55 -146.39 12.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -75.49 129.51 37.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 57.64 55.28 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.1 p -138.22 -8.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.19 165.09 43.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 91.7 p -150.04 -119.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.73 0.3 . . . . 0.0 111.239 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -128.51 -8.12 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.185 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -78.52 141.49 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -145.28 164.97 29.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -171.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.84 154.98 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.27 119.8 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 163.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.73 122.91 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.57 -51.41 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -106.05 130.98 22.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.23 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.17 137.89 45.42 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.723 1.615 . . . . 0.0 111.25 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -128.08 97.01 30.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.17 -32.94 89.06 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.76 1.64 . . . . 0.0 111.159 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -77.53 -9.11 58.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.257 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.78 -5.6 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.61 112.75 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.95 82.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.56 -42.61 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.74 168.15 11.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.0 m -89.67 101.18 13.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.226 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.8 t -70.26 130.02 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -132.67 -15.74 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.2 179.94 25.59 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -158.35 129.38 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.205 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.0 134.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 78.1 p -114.75 -21.53 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.7 t -157.44 141.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.91 11.2 60.54 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.44 -29.01 61.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -54.46 -31.94 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.06 -36.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.0 -48.04 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.216 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.7 ttp-105 -58.48 -38.38 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 p -97.05 10.08 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.2 ttm -69.71 142.55 53.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.04 150.12 21.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -60.83 115.78 3.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.67 19.08 49.78 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -57.44 134.1 55.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.25 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.9 132.76 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.8 mtm -83.76 126.1 32.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.95 -47.56 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -148.79 108.16 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.8 119.36 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.67 148.36 51.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.5 t -134.96 139.2 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -144.66 165.04 29.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.04 139.91 36.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -159.98 73.85 3.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 1 C--O 1.0 -11.386 0 C-N-CA 121.613 1.542 . . . . 0.0 111.232 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.22 159.1 15.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.05 129.98 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.234 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.22 176.49 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.02 -176.68 41.06 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -149.93 157.26 42.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.27 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.7 mt -118.51 111.26 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 tp -90.7 120.13 31.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.2 mmm -92.6 153.31 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.22 -25.01 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -94.55 12.78 26.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.87 10.59 78.58 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 64.87 4.1 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.26 116.43 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.41 156.23 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.278 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -118.72 148.55 42.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -145.07 165.08 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.45 153.26 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.74 156.92 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -129.28 80.04 73.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -66.88 -16.1 48.95 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.624 1.549 . . . . 0.0 111.201 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -82.54 -9.49 59.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -108.04 -37.36 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.17 78.62 16.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.98 -48.62 21.16 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.681 1.587 . . . . 0.0 111.179 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.24 -50.92 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 -171.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.8 m -62.19 -42.47 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.87 -44.82 99.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.42 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.54 -43.28 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -56.1 -48.93 75.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.62 -45.57 91.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.51 -45.27 89.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.71 -46.65 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.84 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.93 -4.98 54.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.29 22.74 72.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -51.19 -43.73 61.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.327 . . . . 0.0 111.202 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -82.26 -16.85 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -171.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -70.05 103.55 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.04 -14.29 31.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.91 163.94 21.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 p -120.9 166.84 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 28.3 m-85 -80.86 124.18 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -54.95 -54.84 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -159.97 129.76 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.2 114.98 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.78 104.59 56.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.19 130.86 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.176 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.59 79.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -141.24 -92.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.1 t -144.07 138.54 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -109.22 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -105.39 130.08 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -79.87 160.54 44.98 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.06 -148.46 24.22 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.4 p -154.83 164.54 20.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -54.93 -35.41 89.37 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.654 1.57 . . . . 0.0 111.15 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.1 -36.26 83.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.85 84.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -173.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -101.46 -3.62 28.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.09 4.82 77.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -117.25 112.98 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.99 145.23 44.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -153.22 44.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 -18.68 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.6 -2.46 58.85 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.33 69.03 7.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 m -103.58 121.99 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.195 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 pt -130.02 159.35 70.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.94 163.61 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.748 1.632 . . . . 0.0 111.176 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.71 136.76 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -89.76 -6.09 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.2 p -69.03 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.36 -35.52 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.83 -27.19 11.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -143.56 83.33 10.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -51.05 130.79 32.96 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.683 1.589 . . . . 0.0 111.224 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.77 141.77 43.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -102.69 144.67 30.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -109.8 108.03 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.32 -178.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -54.96 118.51 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.44 -19.3 42.78 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.94 143.43 56.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -171.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.3 mtp -118.76 127.85 53.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -141.11 142.78 34.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 38.5 ttm -68.77 135.78 51.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.92 150.34 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -129.18 146.21 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -99.86 7.48 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.14 -174.43 36.9 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -59.45 120.06 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 53.04 33.92 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -126.35 68.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.38 159.68 47.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.5 p -118.81 -178.07 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 111.146 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.47 2.56 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -90.26 144.02 26.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -130.09 156.59 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -138.25 151.04 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.99 123.72 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.19 135.04 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.6 -31.32 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.79 149.19 72.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.49 134.42 39.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.716 1.61 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -125.12 87.67 55.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.03 -31.94 66.48 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.712 1.608 . . . . 0.0 111.195 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -71.24 -24.13 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.63 -9.57 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.68 125.09 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 4.92 85.5 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.6 t -102.62 -48.39 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -109.87 160.3 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -96.47 110.43 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.95 134.89 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 -15.31 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -171.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.21 -167.2 30.33 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -159.71 149.57 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 111.262 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.67 130.21 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 -18.85 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -171.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.7 p -136.93 146.43 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 67.32 34.92 86.75 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 75.7 mtm -59.79 -39.1 83.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.82 -39.08 93.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.81 -43.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.87 -44.1 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.02 -35.75 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.7 p -96.37 17.11 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.66 160.01 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.62 159.17 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -68.77 110.55 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.59 12.76 57.88 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -60.02 132.71 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.209 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.1 t -88.37 129.17 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 -167.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.0 mtm -85.48 123.01 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -89.75 -40.28 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.261 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -157.65 136.14 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.6 t -128.14 120.59 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 170.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -127.27 133.55 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -172.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -118.42 139.9 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.05 165.74 28.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.01 149.98 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -125.31 129.97 24.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.67 1.58 . . . . 0.0 111.197 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.3 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.823 0.344 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.17 146.02 35.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.267 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -89.92 139.95 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.3 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -149.07 167.02 27.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.33 165.63 25.7 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -140.02 119.91 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.181 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 96.6 mt -92.03 125.62 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.1 tp -111.16 120.09 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mmm -90.36 153.99 20.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.51 -27.52 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -92.84 16.95 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.64 12.54 69.12 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.63 136.98 36.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -124.46 95.21 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -175.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 78.3 mt -115.77 105.13 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -175.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -103.63 134.2 47.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -142.99 158.98 43.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -104.58 157.96 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.68 147.48 33.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.75 83.1 58.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -66.49 -14.56 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -67.54 -29.1 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.94 -36.97 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.11 93.67 1.02 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.46 -47.04 29.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.621 . . . . 0.0 111.17 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.43 -44.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.5 m -64.12 -48.47 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.32 -40.4 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.08 78.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -61.69 -42.7 99.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.232 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.08 -50.92 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.74 -46.3 90.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -44.03 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.89 -45.92 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.54 94.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.51 -29.94 70.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.96 -4.71 58.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 3.31 58.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -67.17 -30.02 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.159 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.97 30.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 139' ' ' GLU . 93.5 m-20 -119.98 50.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.62 61.18 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.71 159.61 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.5 m -114.22 148.26 37.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 51.3 m-85 -97.07 97.8 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.84 -43.08 59.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -170.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -120.18 80.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.36 123.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt -119.43 97.3 50.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.239 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 127.85 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.227 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.27 -8.94 67.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 -66.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.233 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.6 p -170.8 140.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -171.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -99.25 106.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 170.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -92.23 119.73 32.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.6 177.87 42.34 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -174.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.85 24.43 2.8 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.9 t -100.0 129.46 28.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.204 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.99 -16.27 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.705 1.603 . . . . 0.0 111.182 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -98.5 -23.91 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.48 15.21 81.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -99.69 -0.46 40.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.226 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.4 -4.97 62.44 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -116.38 103.96 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 111.227 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.75 155.06 53.22 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -145.37 99.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.221 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.31 -14.1 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.6 -8.42 74.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -162.9 167.43 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -89.71 132.55 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.9 mt -97.48 125.45 45.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -56.88 144.7 87.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.696 1.597 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.3 t -95.79 97.99 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -89.53 120.04 30.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.1 p -99.2 -5.01 30.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -108.01 147.54 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -99.09 -38.39 8.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 6.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.04 153.54 74.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 170.45 20.16 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.662 1.575 . . . . 0.0 111.153 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.55 67.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -82.11 144.51 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -101.2 94.82 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -104.02 -171.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.7 m -55.66 109.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.42 -3.36 68.85 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.08 140.29 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.0 mtp -119.63 127.99 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 98.3 p -137.64 153.64 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.7 mmm -88.25 139.02 30.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.29 130.29 37.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -157.19 177.19 11.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.22 33.32 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.195 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.51 -169.65 21.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.01 121.86 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.189 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 t0 69.88 47.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -138.7 0.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.85 152.08 48.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 p -119.46 -178.16 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 174.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.0 p -69.63 -18.98 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -63.29 142.64 58.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -147.63 171.72 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.27 138.67 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.06 106.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 164.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.96 138.59 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -173.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -90.65 -95.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.88 155.76 90.35 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 164.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.37 141.31 72.34 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.733 1.622 . . . . 0.0 111.169 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -126.86 87.98 55.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.76 -31.29 91.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.701 1.601 . . . . 0.0 111.188 -175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.42 -9.94 59.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -172.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.55 -4.89 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -60.86 106.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.37 -5.01 67.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -77.34 -47.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.77 169.07 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.0 m -95.59 101.36 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.0 t -70.38 130.32 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -126.18 -17.81 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.35 -173.91 27.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -159.95 129.9 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.269 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.9 130.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.9 p -115.12 -20.59 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -147.01 140.07 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.83 22.23 26.37 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.24 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.84 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.49 -41.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.92 -52.25 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.64 -29.81 67.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.6 p -96.02 13.27 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.222 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -61.23 144.66 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.39 149.95 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.99 110.05 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.244 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.1 7.57 52.23 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.27 130.3 46.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.136 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -94.92 132.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -173.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.0 ttp -88.53 136.04 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.03 -52.05 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 41' ' ' ASN . 25.2 pt-20 -166.92 162.71 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.2 t -130.0 132.5 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.75 154.5 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.02 131.24 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -129.93 160.37 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -122.08 137.59 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -131.17 129.73 22.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.001 -11.344 0 C-N-CA 121.646 1.564 . . . . 0.0 111.205 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.91 142.83 22.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.87 150.34 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.33 131.92 38.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.49 -175.0 14.71 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -153.99 147.08 24.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.249 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -106.39 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 165.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.44 122.53 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 mtt -95.07 152.7 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.02 -20.37 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.264 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.69 1.38 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.07 7.74 69.87 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.38 63.87 4.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.22 126.25 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 111.19 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -116.3 116.02 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.85 135.34 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.32 161.02 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.248 -169.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -120.24 141.32 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.42 154.01 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.85 80.53 25.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.47 -14.89 43.93 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.613 . . . . 0.0 111.199 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -69.85 -29.48 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.64 -35.45 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.94 79.04 23.58 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.32 -48.83 19.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.691 1.594 . . . . 0.0 111.186 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.98 -51.37 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.1 m -63.39 -44.6 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.23 -43.23 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.1 85.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.42 -49.2 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.93 -46.09 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.59 -50.07 71.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.52 -49.7 76.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.59 -49.76 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.59 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.85 -23.11 60.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.62 1.97 39.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.99 63.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.64 -58.13 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -70.12 -26.47 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -61.82 110.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.53 32.06 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.26 168.99 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -124.97 174.29 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.4 96.51 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.04 90.09 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.84 129.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.5 mt -122.23 94.29 48.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.64 128.97 32.52 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.654 1.569 . . . . 0.0 111.223 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.21 67.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -130.01 -96.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.202 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.98 177.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -146.58 146.0 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -124.69 134.72 52.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.95 -173.81 25.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.55 18.01 55.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.91 121.65 72.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.41 -21.93 7.21 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.714 1.609 . . . . 0.0 111.208 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -85.44 -32.8 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.08 6.69 89.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -110.13 6.7 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -12.94 67.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -103.9 134.14 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.75 168.87 54.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -133.77 59.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.707 0.289 . . . . 0.0 111.201 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.43 167.65 28.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.99 92.16 0.14 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.21 149.56 25.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.8 m -87.44 103.21 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mm -112.53 101.16 52.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.08 143.07 94.01 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.731 1.621 . . . . 0.0 111.18 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.11 64.13 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.88 122.83 24.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.225 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -118.86 -21.53 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -61.35 108.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.231 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.0 t30 57.81 41.25 25.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -147.14 74.96 11.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.68 140.51 90.71 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.712 1.608 . . . . 0.0 111.212 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.42 51.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.42 131.57 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -100.14 76.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.1 m -112.65 -178.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.9 m -53.53 118.05 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.01 -7.42 67.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 129.66 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 60.8 ttm -116.88 123.75 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -132.26 155.42 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.4 tpp -94.87 133.49 38.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.82 144.97 52.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -155.73 165.19 37.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.07 38.65 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.66 -177.63 16.96 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -69.22 139.95 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.768 0.318 . . . . 0.0 111.179 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 58.08 34.89 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -149.38 69.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.16 161.36 15.59 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.5 p -117.73 -173.08 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 111.225 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.8 p -90.58 -0.45 57.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.87 149.95 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.05 159.26 42.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.6 144.69 40.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 115.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 165.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.3 t -81.75 139.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -98.22 -40.35 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -136.22 153.83 76.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.0 Cg_exo -52.66 121.94 10.04 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.69 1.593 . . . . 0.0 111.172 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -126.07 94.01 42.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -56.01 -32.77 87.38 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.679 1.586 . . . . 0.0 111.188 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -79.17 -9.84 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.49 -2.7 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.46 133.73 51.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.27 5.03 89.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.3 t -81.97 -49.67 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -110.77 169.9 8.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.0 m -89.73 99.45 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.0 t -78.16 129.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.275 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -138.61 -13.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.08 155.16 22.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -139.97 121.01 14.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.76 134.48 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.6 p -116.18 -21.76 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 t -148.41 140.19 23.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.51 35.25 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -172.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.6 mtp -64.61 -26.31 68.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.08 -41.2 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 172.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.71 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.36 -51.37 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 174.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -50.62 -49.66 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.2 p -112.15 50.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 95.3 mtp -65.12 146.71 54.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 173.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -91.42 133.52 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -66.19 121.96 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.28 10.45 77.66 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 135.88 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.192 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.88 129.19 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -175.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 75.6 mtm -80.74 100.09 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.23 -45.97 90.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -152.11 113.81 4.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.93 115.34 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -129.98 149.94 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.3 t -135.27 127.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.93 132.48 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.33 133.25 45.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.64 149.43 48.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.25 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 1 C--O 1.0 -11.411 0 C-N-CA 121.697 1.598 . . . . 0.0 111.196 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.09 139.67 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -140.0 150.05 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -144.77 138.04 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.71 -176.38 17.69 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -154.91 151.46 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.7 111.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 169.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -89.25 125.66 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -88.04 160.24 17.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.42 -16.22 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -88.69 0.36 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.182 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.22 4.57 71.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 104.18 2.0 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.94 114.82 26.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.18 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.03 119.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.63 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -144.95 157.44 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.36 145.47 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.53 155.95 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.1 75.67 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.15 -19.07 45.33 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.751 1.634 . . . . 0.0 111.178 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -69.29 -28.75 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -99.97 -32.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.13 75.63 53.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.13 -57.18 2.15 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.66 1.573 . . . . 0.0 111.209 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.45 -50.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -170.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.6 m -60.15 -49.72 76.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.76 -41.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.44 88.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.9 -42.29 94.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.03 -50.94 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.0 -43.86 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.3 -49.78 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -58.48 -46.8 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.95 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -67.16 -31.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -81.74 1.14 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 23.06 75.79 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.06 -57.79 7.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.03 -27.19 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.217 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -61.66 110.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.79 30.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.3 mt -88.59 173.58 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 p -128.93 174.02 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -170.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 68.3 m-85 -99.79 96.22 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 166.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -71.05 -32.27 68.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -119.32 76.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 -172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 74.5 t -101.32 119.67 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.89 101.11 53.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.34 132.75 54.06 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.691 1.594 . . . . 0.0 111.238 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.15 8.7 87.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -133.43 -77.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.315 . . . . 0.0 111.169 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.77 139.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.229 -172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -117.25 100.62 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -96.56 134.09 40.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -159.55 -166.27 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.74 13.76 64.32 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.2 t -77.61 125.67 85.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.184 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.22 -20.98 14.05 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.69 1.593 . . . . 0.0 111.236 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -90.33 -25.46 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.82 15.98 80.6 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -102.9 -1.49 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.83 -20.0 52.35 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -130.57 121.1 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.41 -171.09 45.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -135.44 88.29 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.241 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.65 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.31 82.78 0.19 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -97.76 143.17 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -86.31 94.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.248 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -122.45 107.69 34.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.01 156.24 65.92 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.756 1.637 . . . . 0.0 111.108 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.2 t -63.05 99.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.74 82.4 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -103.79 -2.57 26.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.15 100.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.186 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 55.24 38.22 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -148.75 77.45 9.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.04 129.38 32.87 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.656 1.57 . . . . 0.0 111.215 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -86.68 58.3 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -80.81 117.99 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -101.15 86.48 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.0 m -125.69 -174.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -49.94 117.9 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.98 -17.57 52.06 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 141.55 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.179 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.4 ' HG2' HG12 ' A' ' 103' ' ' ILE . 85.2 mtp -115.32 127.15 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 174.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -139.21 139.23 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.437 ' SD ' ' HB3' ' A' ' 101' ' ' PHE . 99.6 mmm -81.6 148.43 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.7 104.69 6.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -119.93 149.84 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.01 41.83 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.0 178.88 18.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -64.84 147.38 53.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 53.44 29.97 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -150.5 81.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.94 155.36 16.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 p -106.24 -177.64 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 0.0 111.214 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.22 -1.2 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.4 150.0 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.437 ' HB3' ' SD ' ' A' ' 89' ' ' MET . 32.2 p90 -138.64 170.1 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.24 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -148.98 148.2 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.4 HG12 ' HG2' ' A' ' 87' ' ' MET . 67.7 mt -109.64 131.34 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.42 135.13 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.251 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -97.67 -37.55 9.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -133.5 157.22 78.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.0 Cg_exo -51.35 121.65 8.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 121.693 1.595 . . . . 0.0 111.188 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -127.87 90.0 49.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.96 -30.3 68.55 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.678 1.586 . . . . 0.0 111.244 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.04 -18.77 59.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -91.85 -15.74 27.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.58 126.57 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 3.73 90.29 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.6 t -87.48 -49.58 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -115.26 171.72 7.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.215 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.6 m -94.33 109.75 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.09 133.34 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 172.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.67 -15.93 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -168.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.15 -176.79 33.64 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -156.95 133.59 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -71.93 137.66 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.234 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.1 p -116.69 -29.44 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.7 t -143.23 128.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.11 10.68 64.06 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.54 -42.58 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 111.233 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.0 -40.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.22 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.409 ' HA ' ' HB2' ' A' ' 131' ' ' MET . 79.7 t -67.67 -43.62 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 174.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -58.73 -36.18 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.3 p -113.99 28.6 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.409 ' HB2' ' HA ' ' A' ' 128' ' ' VAL . 38.9 ttp -63.49 149.9 45.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.249 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.98 149.84 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 62.7 t30 -70.17 131.14 43.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.19 16.48 62.67 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.98 130.01 44.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.122 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.23 128.98 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 -172.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -83.77 100.9 11.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.73 -45.53 92.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -152.18 112.7 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.8 t -109.06 117.12 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -129.87 142.04 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.3 t -134.77 127.76 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 173.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -120.97 138.01 54.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -175.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -76.62 129.98 37.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.72 149.96 75.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.0 -11.387 0 C-N-CA 121.697 1.598 . . . . 0.0 111.241 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.77 0.319 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.57 168.44 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -149.08 163.62 37.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -129.8 175.65 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.03 172.19 33.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -146.82 128.88 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 111.157 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 94.9 mt -102.0 114.21 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 173.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -90.82 120.25 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.2 mmm -89.98 152.42 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -60.26 -25.72 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -90.4 9.43 29.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.81 10.48 69.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 138.66 39.73 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -118.65 93.31 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.144 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 71.9 mt -108.69 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -175.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -101.52 132.01 47.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.55 159.52 41.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.271 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -108.3 156.03 19.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -115.73 154.88 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -123.3 78.59 53.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.56 -14.95 40.8 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.634 1.556 . . . . 0.0 111.229 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -87.42 -9.79 53.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.1 -29.99 7.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.92 75.47 24.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.43 -53.92 5.81 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.714 1.609 . . . . 0.0 111.171 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.48 -48.34 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -61.57 -47.67 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -41.51 91.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.257 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.99 -49.94 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.69 -50.0 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -56.0 -56.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.51 -42.97 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.74 76.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -71.56 -21.68 61.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -81.35 -7.9 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.79 14.85 56.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -79.99 -17.81 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -102.1 17.76 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -103.73 113.07 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.21 11.31 39.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 mt -81.29 153.36 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 m -112.98 147.44 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 72.3 m-85 -88.8 104.73 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 169.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -86.2 -20.92 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -166.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -141.79 87.09 2.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -98.91 122.55 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 96.88 49.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -54.99 127.21 25.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.729 1.62 . . . . 0.0 111.215 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.41 -2.05 70.32 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -129.94 -71.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.365 . . . . 0.0 111.209 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -165.44 135.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -171.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.17 100.6 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 171.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -89.98 129.23 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -168.79 -150.93 6.91 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.87 23.7 68.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -102.83 121.91 47.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.219 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -61.53 -37.22 72.01 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.213 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -91.28 -18.05 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.195 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.89 75.14 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -121.73 8.09 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.152 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.43 -3.74 72.47 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -91.57 114.24 26.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 111.217 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.03 108.72 2.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.87 41.81 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.52 -24.15 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.6 72.41 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -130.8 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 p -133.6 160.22 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.59 109.98 35.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.59 144.92 72.64 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.732 1.621 . . . . 0.0 111.161 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.3 t -62.1 102.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -77.32 129.48 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.6 m -127.48 119.19 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.71 -150.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -27.36 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -59.88 119.52 41.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.98 -29.08 81.25 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.717 1.611 . . . . 0.0 111.211 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 62.63 61.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -79.39 138.47 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -113.21 92.06 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.1 m -122.29 -170.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -54.0 117.2 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 -18.85 54.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.07 127.99 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.3 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.5 mtp -103.38 118.58 37.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -136.91 140.05 42.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.1 mmm -78.69 153.93 30.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 -175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.33 140.18 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -154.34 173.45 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.35 44.38 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.18 168.33 11.34 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.16 139.67 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.261 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 51.59 31.65 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -149.96 75.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.39 -177.5 15.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 p -119.88 -176.03 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.3 p -80.07 -8.4 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -71.58 153.08 42.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -150.03 -179.15 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.08 149.65 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.5 121.74 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.3 140.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.249 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -95.31 -36.28 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -136.75 155.87 76.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 82.0 Cg_exo -49.55 121.23 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.7 1.6 . . . . 0.0 111.234 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -125.85 92.74 45.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -54.62 -29.27 60.02 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.187 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.92 -16.89 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.81 -13.49 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.68 116.76 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.04 2.26 86.13 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -86.88 -49.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 111.193 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.59 169.57 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -91.21 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.6 t -89.01 133.87 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -132.97 -17.84 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.85 -176.82 30.34 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -160.0 129.88 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.2 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.65 131.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.6 p -118.81 -23.7 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -144.79 136.66 25.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.13 63.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.6 tpt -55.77 -30.03 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 111.219 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.9 -40.14 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.04 -34.74 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.38 -45.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.73 -33.15 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 82.0 p -100.99 15.61 28.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.8 ttm -62.44 148.68 44.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.71 150.13 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.11 123.4 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.23 -5.16 31.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.35 140.13 58.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.23 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.44 138.69 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.4 mtm -79.97 100.01 7.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.46 -43.15 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -159.98 120.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 73.6 t -111.06 120.15 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -126.49 149.98 49.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.3 134.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.18 148.08 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.68 82.9 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -116.95 93.99 43.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 1 C--O 1.0 -11.402 0 C-N-CA 121.662 1.575 . . . . 0.0 111.289 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.31 154.71 41.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -122.75 147.02 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.202 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.22 168.66 19.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.56 160.69 28.88 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -148.77 129.94 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 111.193 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -114.22 119.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.188 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -97.27 129.97 44.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mmt -99.34 154.7 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.67 -21.27 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -90.05 9.02 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.2 2.51 70.92 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.99 141.51 43.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.97 107.64 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -114.72 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -109.08 132.73 53.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.22 165.07 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -108.55 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -113.53 141.26 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -127.61 88.47 53.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -170.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -54.13 -29.45 55.99 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.681 1.587 . . . . 0.0 111.22 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.18 -29.63 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.57 -39.9 21.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.83 90.58 2.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -55.64 -60.75 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.732 1.622 . . . . 0.0 111.2 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.22 -40.48 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.3 m -58.88 -48.85 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.245 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 -42.47 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.95 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.08 -49.69 73.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.62 -44.96 96.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.75 -50.16 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.77 -43.54 98.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.55 -32.74 74.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.33 -7.45 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.86 20.19 66.07 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.49 -50.9 56.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 111.243 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -71.56 -22.66 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -69.95 101.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.18 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.26 -3.93 47.8 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.11 146.62 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.2 p -120.64 160.39 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.98 172.3 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 168.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -142.76 -24.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -139.94 79.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.272 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.3 t -89.78 129.19 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mt -127.14 91.09 47.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.222 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.25 130.06 38.15 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.722 1.614 . . . . 0.0 111.185 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.73 -6.95 70.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -129.79 -87.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -160.08 134.02 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 p -99.97 132.26 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -112.69 128.66 56.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.227 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.58 -174.89 17.24 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.53 33.41 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -122.96 153.18 63.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.23 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.32 -24.1 8.19 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.734 1.623 . . . . 0.0 111.191 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.91 -0.0 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 31.35 56.72 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.96 4.69 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.33 4.99 85.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -124.23 130.04 51.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.194 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.78 157.74 51.78 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.95 0.0 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.67 -53.04 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.91 18.21 80.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -100.1 159.97 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.7 m -110.52 119.77 40.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.8 mt -107.55 128.53 25.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.12 144.67 38.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.174 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.18 121.02 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -108.8 138.68 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -12.63 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -110.09 150.03 29.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -100.0 -34.26 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 5.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -80.09 150.03 70.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.29 161.65 45.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.603 . . . . 0.0 111.083 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -107.51 115.59 30.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.189 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -112.47 140.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -115.6 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.9 m -131.12 178.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.7 m -44.84 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.38 58.91 1.79 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 149.47 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.291 . . . . 0.0 111.232 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.63 121.63 29.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.162 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.434 ' HB3' HG23 ' A' ' 117' ' ' VAL . 96.2 p -135.04 160.12 39.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.6 mmm -97.0 143.66 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.27 138.17 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -152.64 171.32 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.75 36.13 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.71 -170.47 21.59 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -72.98 130.07 39.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 60.33 41.62 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.9 p -130.0 2.85 4.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 139.03 37.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.3 p -112.41 -176.7 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.21 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.0 -5.4 55.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.242 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.85 146.81 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -145.33 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -168.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.85 138.35 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.239 173.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.6 116.53 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 165.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.22 131.12 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -166.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -97.67 -38.18 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.234 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -135.52 159.84 70.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.1 Cg_exo -49.7 127.15 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.734 1.622 . . . . 0.0 111.218 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -132.41 89.98 35.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.266 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -52.91 -30.02 46.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.731 1.621 . . . . 0.0 111.182 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -56.81 -39.99 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -99.1 -19.2 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.34 119.54 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.91 4.59 87.01 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.35 -50.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -101.94 154.89 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -76.37 109.92 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.434 HG23 ' HB3' ' A' ' 88' ' ' SER . 91.6 t -79.04 137.31 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -131.97 -20.46 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -142.81 165.39 26.89 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -145.57 127.69 15.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.0 t -71.71 132.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.5 p -118.02 -28.47 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -147.45 141.28 25.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.214 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.79 10.76 59.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 11.2 tpt -46.62 -40.08 12.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.204 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.44 -49.65 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.163 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -40.44 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.66 -50.0 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -67.7 -36.42 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.5 p -95.06 20.75 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.209 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.3 ttm -57.48 141.21 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.98 149.79 21.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.449 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 61.2 t30 -65.06 128.21 34.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 15.87 65.92 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -43.76 131.23 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.03 127.82 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.1 mtt -73.39 146.38 45.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -104.12 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.234 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -159.19 129.97 5.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.42 130.05 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.18 152.13 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.49 154.07 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 170.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.06 126.51 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -170.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -96.67 109.86 22.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -96.65 151.61 38.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 1 C--O 1.0 -11.404 0 C-N-CA 121.649 1.566 . . . . 0.0 111.201 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.11 155.05 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -130.14 174.09 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.9 164.41 29.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.5 164.02 29.35 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -142.78 129.12 19.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.7 mt -114.17 115.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 tp -90.92 123.86 34.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.7 mmm -90.0 156.53 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -60.28 -25.54 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -87.4 4.89 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.43 8.03 66.53 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.01 136.04 37.66 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.42 96.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.69 113.17 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -115.72 130.14 56.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.242 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -141.07 159.19 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -100.85 158.46 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.59 140.15 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -121.9 81.08 42.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.268 -169.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.21 -6.98 20.16 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.65 1.567 . . . . 0.0 111.157 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -68.13 -29.93 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.12 -27.2 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.4 72.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.96 -24.21 39.81 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.64 1.56 . . . . 0.0 111.161 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.71 -48.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -65.01 -43.85 91.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -39.76 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -67.7 -37.22 81.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -56.98 -52.7 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.65 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.97 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.11 -43.99 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.75 90.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -82.63 -0.55 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.85 -4.58 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 17.16 53.54 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 173.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -80.07 -35.12 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.157 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.13 -9.97 29.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -77.82 79.79 4.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 29.75 0.77 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 153.89 42.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.4 m -117.63 119.94 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.1 101.17 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.42 -13.09 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.39 87.07 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.1 t -108.67 111.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 76.1 mt -121.37 105.72 38.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.42 128.57 29.8 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.3 -22.77 39.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -108.7 -102.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.94 160.09 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -176.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.0 m -110.44 113.88 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -103.59 127.1 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.37 -178.55 45.54 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.64 -170.97 39.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.86 138.53 21.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 111.269 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.03 -30.5 49.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.651 1.568 . . . . 0.0 111.226 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.86 5.02 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.65 19.98 77.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.85 -30.06 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.226 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.54 -12.3 68.99 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -129.97 131.34 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.94 117.02 0.94 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -129.16 60.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 111.161 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.44 154.04 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.89 40.97 2.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -160.02 176.17 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.8 m -129.99 127.98 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.18 121.29 27.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.36 145.08 47.28 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.663 1.576 . . . . 0.0 111.164 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.5 t -67.98 126.93 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.71 109.93 10.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.0 p -128.05 -9.98 5.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.265 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.18 -2.3 40.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -109.89 -168.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 98.3 m-20 -49.39 142.77 10.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 93.9 Cg_exo -51.54 139.03 47.86 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.745 1.63 . . . . 0.0 111.198 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -110.04 77.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.74 140.02 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -99.45 80.11 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.8 m -117.09 179.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.6 m -48.96 112.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.96 -31.13 7.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.54 138.93 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.4 ttp -122.36 124.34 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 29.8 t -126.52 144.44 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -167.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.0 tpp -90.09 129.86 36.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.06 142.17 50.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -103.79 120.06 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 58.9 ttp180 -79.97 67.97 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.59 179.66 28.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.06 121.02 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 53.52 46.91 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.5 m -141.67 72.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.55 137.15 49.93 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.2 p -98.12 -160.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.19 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.12 -11.95 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.05 130.92 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -135.38 168.87 18.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.13 152.59 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.22 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.3 mt -108.92 133.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.263 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -88.73 129.72 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -170.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.68 -47.96 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 97.0 mt-10 -137.5 158.9 71.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.256 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 68.7 Cg_exo -47.9 124.57 10.17 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.674 1.583 . . . . 0.0 111.221 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 93.7 mm-40 -119.3 94.89 48.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.244 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -55.85 -30.85 78.71 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -80.02 -9.9 59.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.25 -21.44 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -59.91 106.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.11 -5.08 52.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.44 -46.96 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.8 177.19 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.6 m -108.54 112.31 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 97.9 t -73.33 128.16 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -128.88 -15.68 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.03 178.22 22.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -158.13 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 111.221 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.2 130.45 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.2 p -113.33 -20.91 11.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -146.35 140.05 26.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 174.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.13 18.93 41.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.3 tpt -54.78 -41.53 70.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.76 -49.85 74.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.62 -50.08 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.96 -47.53 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -69.99 -19.95 63.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.7 p -102.79 17.77 23.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.247 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.7 mtt -64.03 159.88 19.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.35 160.17 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -65.32 110.07 2.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.39 9.65 38.06 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -63.87 129.04 38.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.3 139.95 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.5 mtt -73.4 154.96 39.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -114.08 -48.65 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -149.9 117.04 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.06 122.74 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -137.57 142.48 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.2 t -124.1 137.58 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.56 154.38 48.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.256 -174.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.5 80.72 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.34 90.07 33.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 1 C--O 0.999 -11.452 0 C-N-CA 121.712 1.608 . . . . 0.0 111.204 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 152.2 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -129.5 152.13 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -134.94 173.51 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 173.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.25 179.29 40.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -151.14 148.44 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 111.244 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.16 103.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.2 tp -80.59 120.36 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mmm -90.02 145.22 25.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.62 -27.05 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.63 18.63 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.01 60.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 167.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.77 54.66 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -161.39 110.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.204 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.51 114.23 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.68 131.08 45.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -140.2 159.75 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -172.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -105.95 160.2 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.49 154.31 32.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -130.06 82.82 65.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.82 -32.94 79.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.654 1.569 . . . . 0.0 111.186 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.12 -31.96 71.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -78.27 -40.04 38.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.52 85.15 6.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -54.62 -59.56 0.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.675 1.583 . . . . 0.0 111.155 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.84 -41.93 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -47.91 83.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.74 -46.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -50.15 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.253 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.41 -44.85 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.05 -47.05 78.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.235 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.88 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.55 -42.61 88.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.22 -50.75 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -45.3 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -80.47 -3.53 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -99.94 5.19 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 19.79 77.51 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.1 -56.03 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -68.39 -24.97 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.52 109.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -5.76 33.03 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -89.99 160.01 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.4 p -119.8 166.09 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.2 99.92 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -80.18 -15.39 57.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.19 80.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.52 124.66 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mt -130.84 88.45 46.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.24 136.74 61.78 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.697 1.598 . . . . 0.0 111.253 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.46 83.79 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.71 -111.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.33 123.16 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -94.9 154.8 17.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -134.98 137.58 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.1 26.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 113.9 22.79 5.2 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.3 m -119.03 133.66 23.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.61 100.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.73 1.62 . . . . 0.0 111.15 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 52.88 29.95 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.4 32.72 84.47 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -86.58 -13.57 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.187 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.91 -61.1 4.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.5 m -70.16 84.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 111.186 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.48 177.53 54.09 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -129.69 60.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.76 91.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.05 80.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.9 137.63 54.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -140.69 107.97 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.9 pt -130.03 159.41 70.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.35 157.09 25.75 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.612 . . . . 0.0 111.204 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.04 110.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.05 140.03 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.4 p -121.92 -13.1 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -109.97 150.05 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.269 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -99.37 -23.45 15.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 5.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 95.3 m-20 -100.03 150.13 36.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 76.7 Cg_exo -55.17 155.68 18.71 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.716 1.61 . . . . 0.0 111.252 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.34 67.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.202 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -87.32 147.48 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -98.85 75.9 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.87 -175.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.5 m -52.58 111.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.48 -10.68 65.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.58 144.96 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.5 mtp -126.19 122.17 34.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.201 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 90.7 p -126.71 166.18 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.5 ttm -109.78 134.71 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.04 127.75 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -135.32 155.05 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.224 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -130.0 9.93 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.62 -131.67 4.27 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.27 138.09 36.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 58.25 54.96 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.3 p -132.16 -10.06 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.0 154.95 49.34 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.8 p -151.71 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.5 p -134.71 -2.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -74.49 120.44 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -131.28 165.74 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.211 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -115.64 153.45 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 69.5 mt -125.39 112.36 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 162.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -80.68 125.65 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -91.57 -48.74 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 74.3 mm-40 -119.91 146.89 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 172.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 88.9 Cg_exo -52.72 137.88 59.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.245 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -129.89 97.41 23.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -57.16 -32.18 92.68 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.659 1.572 . . . . 0.0 111.202 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -69.76 -19.0 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -171.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.32 -4.45 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -63.65 107.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.02 -4.94 68.29 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.61 -46.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.186 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.27 170.87 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.5 m -94.34 108.68 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.4 t -76.27 129.92 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -126.47 -15.94 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -155.27 -176.02 26.98 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -159.89 127.74 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.186 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.32 134.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -116.45 -21.98 8.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.4 t -154.47 140.25 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.256 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.83 6.97 57.91 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.9 -28.66 57.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 111.198 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.8 -30.14 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.201 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.04 -39.59 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.68 -43.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.97 -40.01 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.0 p -105.73 15.08 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.4 ttm -70.02 135.57 49.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.67 140.88 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -59.48 109.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 172.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.79 19.96 41.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.03 134.0 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.7 t -85.57 130.12 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.8 mtm -81.27 99.99 8.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.189 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.74 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -150.08 110.17 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -176.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.87 117.39 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -129.79 149.21 51.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.22 141.9 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -145.57 164.88 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.43 140.34 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -159.89 79.87 2.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.258 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.725 1.617 . . . . 0.0 111.163 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.69 164.93 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -101.46 135.3 43.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.18 164.63 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 142' ' ' VAL . . . -158.05 172.73 35.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -158.3 159.95 36.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 tt -144.17 134.17 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.42 140.01 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.4 mtp -93.83 161.08 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -70.85 -10.81 60.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -85.52 -0.05 53.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.12 66.47 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 152.35 39.58 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.97 122.49 26.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.71 117.12 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -111.16 129.98 55.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -138.39 157.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 -171.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -103.18 155.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.04 152.62 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.28 79.16 73.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.92 -31.65 74.56 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.658 1.572 . . . . 0.0 111.208 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.72 -30.58 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.82 -41.67 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 27' ' ' THR . . . -143.54 85.22 9.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.14 -59.76 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.655 1.57 . . . . 0.0 111.164 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -72.31 -37.84 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . 95.1 m -58.54 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.84 -42.53 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.35 69.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.251 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.3 -45.22 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.8 -43.65 90.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.21 -40.09 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -47.51 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.8 -48.89 78.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.33 95.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -66.87 -29.9 69.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -81.39 -5.01 57.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.06 24.58 71.23 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.64 -42.28 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HA ' HD12 ' A' ' 43' ' ' LEU . 98.8 m-85 -83.37 -3.49 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -173.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.93 101.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.38 -5.04 29.84 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 40' ' ' TYR . 33.4 mt -80.06 170.86 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.17 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -128.2 169.61 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.52 149.51 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.05 -42.2 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -174.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -154.77 86.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.184 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.38 129.27 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.63 95.07 43.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.06 118.72 5.29 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.161 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.41 -13.1 56.96 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -134.68 -167.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.224 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.97 139.09 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -121.08 139.67 53.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -107.88 129.97 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.2 173.84 27.2 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.58 36.13 1.95 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m -119.26 146.41 40.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 111.28 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.91 -21.25 11.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.18 0.02 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 25.84 74.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -96.82 1.91 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.22 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.19 78.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -126.22 119.96 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.13 161.13 50.49 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -129.99 20.36 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 111.153 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.43 -50.48 31.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.86 -7.81 73.64 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -75.26 155.34 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -121.43 118.33 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.206 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.41 128.26 28.65 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HA ' ' H ' ' A' ' 95' ' ' ASP . 89.2 Cg_endo -78.3 153.02 27.5 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.754 1.636 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.6 t -75.13 111.04 9.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -117.13 50.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.2 p -94.1 1.25 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -100.1 20.0 15.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -99.65 -120.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.38 151.95 78.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.214 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.52 146.19 34.57 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.758 1.639 . . . . 0.0 111.228 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -141.95 154.96 45.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.54 126.9 21.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -84.81 76.36 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.9 m -111.75 -172.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.4 m -53.12 117.62 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -19.95 49.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.79 141.62 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -171.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.0 mtp -125.58 126.04 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.4 p -136.96 144.5 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.91 143.25 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.95 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -157.61 178.19 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -130.03 -0.37 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.05 -165.49 38.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -70.02 121.82 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.452 ' H ' ' HA ' ' A' ' 72' ' ' PRO . 66.1 m-20 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.4 p -128.82 0.77 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.33 31.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.4 p -113.08 -171.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.97 -8.61 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.29 146.28 49.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -137.36 157.52 46.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.45 133.26 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.5 mt -112.04 121.43 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.8 t -92.97 135.21 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -98.96 -30.05 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.05 136.64 26.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -171.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 80.5 Cg_exo -46.48 118.48 2.57 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.703 1.602 . . . . 0.0 111.16 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.4 90.63 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -56.35 -25.84 59.15 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.656 1.571 . . . . 0.0 111.243 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -62.67 -22.74 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.33 -17.3 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.37 128.37 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.74 -8.52 79.18 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -89.9 -42.45 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.09 157.04 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.4 m -90.07 108.56 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.03 132.67 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -127.46 -18.94 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -165.91 -175.3 36.23 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -158.74 130.76 6.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.226 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.26 132.18 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.9 p -115.57 -27.06 7.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.7 m -138.2 148.11 44.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.63 55.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.59 -28.97 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.222 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.61 -33.02 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.85 -45.21 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.51 -44.81 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -77.6 -9.98 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.8 p -113.19 16.0 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.0 mtt -64.96 154.99 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.91 154.28 44.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -67.01 110.33 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 5.91 33.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.81 150.7 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.52 133.18 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 61.7 mtm -88.11 115.22 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 -51.49 64.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -165.75 159.96 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.53 139.93 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.254 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -145.11 150.31 36.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.403 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.7 m -128.75 164.42 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.59 153.84 23.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.99 120.01 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -80.22 119.33 76.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.648 1.565 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.08 165.41 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -139.99 148.38 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -130.41 171.66 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.13 159.31 28.05 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -145.33 129.09 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.3 mt -113.09 119.44 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.98 129.84 44.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.6 mmt -98.16 152.61 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 -175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.61 -19.59 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.07 1.52 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 -0.71 59.96 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.64 142.06 43.25 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.13 105.88 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.212 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.81 108.67 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.243 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -107.74 131.9 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 31.6 p90 -146.92 164.34 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -170.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.35 147.26 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.39 149.97 24.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -130.48 83.43 62.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.27 -29.77 48.61 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.753 1.635 . . . . 0.0 111.18 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.44 -28.13 67.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -83.38 -40.84 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.54 88.1 4.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -54.95 -59.8 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.686 1.59 . . . . 0.0 111.218 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.59 -40.11 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.2 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -61.15 -45.48 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.59 -42.46 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.37 85.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -67.16 -37.37 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.46 -51.28 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.12 -46.77 87.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.63 -47.06 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.248 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.33 -48.45 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.07 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.93 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.36 -5.47 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.4 21.01 61.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.49 -55.71 21.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 0.0 111.115 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -73.69 -26.89 60.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -70.02 101.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.86 4.68 56.77 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD22 ' HA2' ' A' ' 57' ' ' GLY . 16.1 tp -72.87 145.31 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -119.58 146.52 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.202 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -90.31 154.57 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 172.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -131.58 -14.91 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 88.0 mmt-85 -139.92 76.63 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.2 t -89.95 124.64 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.188 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.12 92.93 44.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.202 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.02 133.0 55.05 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.743 1.628 . . . . 0.0 111.218 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.25 84.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.1 -84.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.3 140.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.2 p -108.4 134.4 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 47' ' ' ARG . 63.1 tt0 -114.48 130.54 56.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.01 -178.42 16.35 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' HA2' HD22 ' A' ' 43' ' ' LEU . . . 137.13 15.53 0.79 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.8 151.91 44.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.29 -22.73 5.61 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.653 1.569 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -123.77 -20.08 5.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.49 21.86 42.6 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -94.52 5.11 52.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.0 -7.33 62.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -96.27 122.28 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.198 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.96 142.52 45.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.23 -70.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.78 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.13 19.41 78.57 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -69.03 149.97 48.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.715 0.293 . . . . 0.0 111.244 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -90.96 124.44 35.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.73 128.84 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.92 152.89 25.18 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.614 1.543 . . . . 0.0 111.288 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.29 123.47 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -118.44 134.08 55.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.6 p -120.76 -11.22 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -110.02 148.95 30.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -98.22 -30.96 12.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 5.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -88.42 150.09 45.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.8 172.0 17.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.709 1.606 . . . . 0.0 111.195 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -117.18 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -174.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -137.59 129.36 28.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -103.36 82.68 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.2 m -125.46 179.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.211 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.3 m -45.76 111.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.87 56.79 2.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.03 146.39 50.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.246 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.65 122.23 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.2 p -135.99 157.05 47.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.5 mmm -95.03 140.04 30.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 176.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.04 133.03 36.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -156.01 179.24 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.82 32.64 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.46 -173.31 21.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -69.98 121.21 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.18 39.58 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.5 p -129.84 3.33 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.94 54.2 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.2 p -121.24 -169.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.3 -9.04 59.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.212 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.78 149.98 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -148.26 159.68 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.23 139.08 48.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.0 mt -116.16 116.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 162.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.1 t -86.01 130.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.215 -167.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 129' ' ' ARG . 35.2 m170 -93.98 -37.93 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -141.66 157.84 64.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 173.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 47.0 Cg_exo -45.25 121.05 3.45 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.725 1.617 . . . . 0.0 111.231 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -129.91 97.14 24.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.97 -30.06 76.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.676 1.584 . . . . 0.0 111.205 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.67 -36.87 72.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.96 -22.89 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.8 120.03 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.84 5.15 84.2 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.31 -40.82 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -112.31 169.98 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.1 m -96.48 109.92 22.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.84 133.4 30.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -122.19 -14.72 7.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.09 168.31 36.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -141.72 142.81 33.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.213 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.405 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 87.3 t -77.54 133.63 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -116.08 -24.73 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t -145.01 139.51 27.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.26 53.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.4 mtp -61.13 -35.04 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.193 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.05 -40.79 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.54 -51.96 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HA ' ' HB3' ' A' ' 105' ' ' HIS . 78.9 ttt-85 -55.66 -40.07 71.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 41.4 p -106.77 40.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -56.0 140.11 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.18 149.93 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.407 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 55.9 t-20 -66.68 115.61 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.49 23.28 58.72 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -44.8 132.83 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.43 131.56 62.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.16 147.94 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.12 -48.52 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -157.19 130.0 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.24 129.96 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.34 149.11 45.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.3 138.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -125.16 108.7 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -171.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.88 129.94 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -111.4 154.95 43.54 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 1 C--O 1.0 -11.394 0 C-N-CA 121.743 1.628 . . . . 0.0 111.195 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.32 26.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -129.94 155.91 45.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 140.46 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.17 179.52 19.36 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.22 150.01 31.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -116.35 113.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 172.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -89.97 122.21 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 169.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mmm -90.14 151.38 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -59.97 -26.38 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.232 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -92.82 15.07 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.94 74.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 170.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.13 151.64 49.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.03 119.98 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.68 102.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -91.32 138.31 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -144.55 158.92 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -172.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.42 136.68 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.52 144.63 31.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.188 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -122.78 95.04 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.03 -30.18 58.36 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.663 1.575 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.7 -36.5 81.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.18 -43.47 67.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.69 93.22 1.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.8 -47.42 26.77 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.663 1.575 . . . . 0.0 111.247 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.15 -47.32 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.3 m -62.83 -44.72 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.25 -45.99 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.27 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.91 85.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.202 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.64 -43.89 88.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.3 -48.59 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.94 -49.96 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.243 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.02 -53.98 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -58.59 -49.73 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.52 83.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -79.43 -3.97 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.63 -0.01 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 172.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.59 20.58 63.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.83 -53.56 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.99 -22.42 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 109.89 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.26 -8.13 30.82 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.83 160.01 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 136' ' ' VAL . 34.3 p -120.18 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -170.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.02 96.98 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 167.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -79.81 -14.79 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -165.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -137.72 80.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.16 122.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.7 mt -131.85 86.55 47.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.95 137.63 73.45 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.755 1.637 . . . . 0.0 111.222 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.98 -10.54 70.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.79 -112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.205 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.03 126.7 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -91.5 154.96 18.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.5 137.65 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.3 -175.32 27.13 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 22.02 6.47 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -116.45 132.29 23.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 -174.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.93 106.43 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.712 1.608 . . . . 0.0 111.158 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 51.18 30.02 5.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.95 37.95 94.89 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.92 7.27 45.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.234 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.25 -76.78 1.91 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -84.19 123.36 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.67 -161.68 26.94 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -136.74 58.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -40.0 74.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 10.89 75.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.91 122.36 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -134.05 113.06 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 pt -129.29 158.0 74.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.43 155.23 36.39 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.737 1.625 . . . . 0.0 111.226 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.1 t -51.54 122.44 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 174.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -95.31 141.32 29.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.16 -15.86 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -108.48 149.83 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -99.82 -30.2 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 6.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.9 m-20 -91.05 150.55 41.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -174.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 67.7 Cg_exo -54.96 155.07 19.48 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.714 1.609 . . . . 0.0 111.16 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.405 ' HB3' ' H ' ' A' ' 117' ' ' VAL . 92.1 m-70 -120.1 70.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.179 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -90.02 133.8 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -83.76 71.75 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -82.84 -178.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -56.62 118.39 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.04 -11.29 69.58 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.67 143.77 29.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.7 mtp -125.89 117.87 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 96.2 p -122.24 153.12 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -175.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.0 tpp -90.25 134.28 34.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.78 122.53 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -134.84 147.67 49.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -120.0 -9.21 9.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.6 -136.64 4.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -82.76 130.53 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 56.41 49.68 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -121.68 -5.05 9.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.44 156.24 48.73 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.6 p -152.36 -128.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.97 -1.91 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -75.31 124.13 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -132.36 161.48 33.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -174.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -110.67 153.79 24.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.1 mt -125.98 111.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 163.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.11 118.5 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -80.05 -58.12 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 75.5 mm-40 -112.42 144.38 30.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 88.8 Cg_exo -54.92 136.99 74.77 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.723 1.615 . . . . 0.0 111.227 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -126.95 90.14 50.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -56.34 -31.34 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.721 1.614 . . . . 0.0 111.218 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -76.24 -9.95 59.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.252 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -98.54 -1.51 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -62.83 108.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.226 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.51 -5.02 70.19 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.1 t -76.62 -49.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -113.37 171.49 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.7 m -94.64 93.82 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 96.4 t -62.82 120.67 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 171.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.71 -14.61 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.26 -177.36 23.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -159.13 129.88 6.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.18 134.32 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.9 p -111.45 -23.17 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -158.44 130.95 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.51 19.2 4.64 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.78 -30.63 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -64.52 -44.38 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.36 -38.15 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.22 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.1 -57.11 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -66.07 -23.8 66.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -173.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.1 p -100.16 7.09 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -64.99 139.24 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 135' ' ' ASP . 87.7 tttt -82.29 139.79 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -60.07 118.75 6.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.214 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.68 15.12 57.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 39.9 t0 -56.83 135.06 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.209 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 44' ' ' THR . 59.5 t -92.14 133.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -172.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.9 mtm -83.89 116.57 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.85 -41.9 20.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.47 113.01 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.72 115.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.22 148.57 51.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.01 142.09 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -143.3 170.37 15.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -80.22 137.08 36.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.1 70.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 -176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.392 0 C-N-CA 121.662 1.575 . . . . 0.0 111.144 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.52 159.96 19.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.27 139.17 45.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -152.37 -179.96 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.13 -173.83 40.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -154.33 158.63 40.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.36 111.5 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.9 tp -85.58 114.99 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 99.4 mmm -82.08 156.51 24.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.06 -26.39 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -89.98 0.27 57.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.53 69.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.87 65.01 4.02 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -69.95 128.41 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -120.0 154.42 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -123.58 139.94 53.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -141.16 164.11 31.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.15 156.68 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.61 159.04 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 -174.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -129.81 78.31 75.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.6 -17.6 57.32 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.713 1.608 . . . . 0.0 111.13 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.16 -23.38 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -98.1 -32.95 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.7 79.61 13.45 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -53.66 -52.4 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.64 1.56 . . . . 0.0 111.202 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.16 -49.94 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -173.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.2 m -65.0 -42.69 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -173.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.07 -44.37 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.98 78.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.269 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.45 -32.64 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.72 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 173.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.17 -46.47 85.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.29 -43.76 92.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.93 -49.41 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.8 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.54 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -89.9 5.83 44.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.23 71.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -75.13 -10.42 59.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -111.52 9.3 21.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.263 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -98.36 119.53 37.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.66 5.98 73.85 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.26 166.56 18.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -122.91 165.06 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -86.4 115.35 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -47.57 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -158.6 120.12 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.16 120.3 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.5 mt -116.08 97.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.78 126.6 23.01 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.702 1.602 . . . . 0.0 111.143 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.72 10.9 71.98 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.68 -86.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.177 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 m -146.3 155.72 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -117.05 110.01 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 170.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -97.87 126.89 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.09 50.47 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.15 -129.45 4.79 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 p -162.09 162.97 19.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.06 -31.2 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.723 1.615 . . . . 0.0 111.218 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -76.53 -26.94 55.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.02 14.83 81.45 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -101.98 -4.14 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.59 70.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -115.88 120.97 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.207 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.45 144.44 48.79 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -150.36 40.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 0.0 111.154 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.92 -26.75 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 -5.06 65.53 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -83.52 68.81 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.8 m -82.79 111.88 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 pt -122.76 157.66 59.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -170.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.16 163.09 39.02 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.644 1.562 . . . . 0.0 111.171 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 94.0 m -95.05 145.75 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -100.83 -7.0 24.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -172.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.1 p -79.07 -7.68 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -73.84 -26.85 60.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -117.84 -18.65 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -146.91 77.95 10.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.307 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -52.07 139.72 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.621 1.547 . . . . 0.0 111.22 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -116.66 140.58 49.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -90.06 147.09 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -113.67 105.65 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.85 179.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.267 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.3 m -54.87 118.06 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.07 -22.11 28.04 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 143.52 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.437 ' HG2' HG12 ' A' ' 103' ' ' ILE . 96.0 mtp -115.39 115.13 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.203 173.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -124.45 132.76 53.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.76 144.48 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.274 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.28 154.99 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.189 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -141.24 169.76 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -111.49 29.92 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.34 -175.7 21.01 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.18 131.48 46.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.38 40.81 30.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.245 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 96' ' ' THR . 39.1 m -135.74 49.29 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.96 142.32 25.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.1 p -108.34 -169.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 -176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.7 p -82.8 -4.2 57.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -89.96 148.55 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -147.52 172.47 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -144.91 150.03 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.253 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.437 HG12 ' HG2' ' A' ' 87' ' ' MET . 77.5 mt -107.08 120.86 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.5 t -80.3 132.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -113.23 -26.71 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.271 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -122.5 129.26 25.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.69 131.19 36.69 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.677 1.585 . . . . 0.0 111.201 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -134.67 99.95 12.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.7 -30.93 77.83 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.673 1.582 . . . . 0.0 111.229 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -69.91 -18.83 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.81 -14.84 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -62.36 123.65 18.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.03 82.34 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -94.57 -50.87 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.182 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -109.59 149.51 29.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.6 m -85.25 116.25 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.03 130.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -120.34 -13.06 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -171.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.9 -167.44 33.51 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -159.12 149.95 19.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.1 t -76.95 130.56 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.7 p -113.26 -21.06 11.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 -172.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -147.6 135.54 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.26 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.1 ttp -55.29 -40.02 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.72 -43.21 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.61 -47.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.68 -37.13 77.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.6 p -94.55 16.02 16.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -174.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.6 mtt -66.72 159.93 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -99.92 161.74 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.05 110.3 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.25 14.15 56.33 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -57.72 133.11 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.188 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.7 t -91.34 127.82 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 -168.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.7 mtm -87.05 137.16 32.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 170.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.94 -56.67 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.216 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.68 142.2 36.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.75 119.21 47.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.14 139.89 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.38 133.52 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.0 164.89 34.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.42 138.14 31.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.59 130.07 24.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 1 C--O 1.0 -11.412 0 C-N-CA 121.696 1.597 . . . . 0.0 111.193 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.26 166.21 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.267 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.5 137.1 49.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -137.9 177.22 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.43 -177.46 41.19 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -153.72 157.64 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.8 mt -118.24 110.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.95 115.23 22.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 174.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.0 mmm -82.66 155.41 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.95 -29.76 68.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -87.58 1.99 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.58 7.62 71.67 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.02 63.4 4.4 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -67.4 129.8 41.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.205 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 pt -115.97 153.12 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.07 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -145.96 161.6 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.63 162.32 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt -120.56 157.46 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -127.57 75.6 77.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.97 -19.39 58.0 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.642 1.561 . . . . 0.0 111.189 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.92 -22.8 59.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.229 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -103.67 -31.97 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.7 72.17 36.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.81 -51.18 10.93 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.666 1.578 . . . . 0.0 111.22 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.79 -50.83 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -171.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -42.0 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.85 -45.15 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.68 87.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -63.35 -45.86 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -57.3 -47.99 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.62 -48.47 79.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.27 -50.02 65.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.54 -49.68 72.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.34 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -79.81 0.87 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -106.54 4.26 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.266 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.42 17.17 69.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 172.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.63 -46.27 87.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.0 m-85 -84.24 -7.13 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -70.01 110.05 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.24 -8.9 49.43 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 40' ' ' TYR . 24.7 mt -82.29 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.177 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.4 p -121.23 168.83 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -171.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 73.5 m-85 -94.01 109.78 21.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -69.34 -41.15 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -139.96 91.36 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.58 112.5 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 54.1 mt -123.11 96.85 44.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 58.6 Cg_endo -68.37 139.81 46.57 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.667 1.578 . . . . 0.0 111.126 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.16 4.95 86.19 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -146.16 -96.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.238 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.27 128.82 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -98.17 106.22 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -98.6 132.54 43.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -75.34 167.48 54.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.04 -137.39 9.53 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.24 164.26 18.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.11 -30.85 72.61 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.704 1.602 . . . . 0.0 111.205 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -76.34 -23.61 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.86 80.55 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.04 -10.62 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.52 67.68 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -112.95 112.71 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.703 0.287 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.07 146.87 45.28 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.09 42.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.207 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.94 55.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 -5.24 57.58 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.83 67.24 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -76.93 120.15 21.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.12 155.13 55.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.29 158.27 52.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.718 1.612 . . . . 0.0 111.171 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.0 m -91.76 139.03 31.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.34 -10.69 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.7 p -70.76 -16.26 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.191 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -68.18 -27.69 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -103.85 -30.64 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.29 90.98 3.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -53.18 135.71 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.715 1.61 . . . . 0.0 111.171 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -105.5 138.68 41.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.05 148.77 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -110.07 109.53 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.87 177.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -57.08 121.04 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 -22.56 32.74 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.28 143.23 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.6 ttm -116.59 117.27 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 44.1 t -125.39 135.32 52.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -167.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.0 tpp -76.52 133.17 39.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.39 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.257 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -141.57 169.85 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -112.81 30.16 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.58 -178.2 19.28 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.72 132.43 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.45 36.94 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 96' ' ' THR . 36.8 m -133.09 48.7 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.27 142.75 26.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -109.36 -169.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.135 -177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.37 -15.2 58.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -75.77 143.57 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.69 169.9 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.57 148.84 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.8 mt -104.96 121.15 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.43 132.8 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.53 -32.37 6.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -115.4 128.02 26.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.6 140.42 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.635 1.556 . . . . 0.0 111.289 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -129.34 89.69 46.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -56.98 -31.54 90.19 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.757 1.638 . . . . 0.0 111.225 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -77.38 -9.95 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.23 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.63 2.85 52.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.234 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.31 108.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.72 2.73 81.41 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -87.52 -55.0 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.75 151.06 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.3 m -87.0 108.92 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.5 t -74.04 127.03 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 170.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -126.76 -14.69 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -171.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -152.66 -176.41 25.21 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -159.89 129.92 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.49 129.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 82.7 p -113.75 -20.71 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -148.46 136.12 20.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.04 60.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -56.18 -37.78 70.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.703 0.287 . . . . 0.0 111.111 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.238 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.88 -42.31 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.47 -46.97 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.54 -29.95 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.6 p -96.64 8.11 44.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.215 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.58 156.08 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.54 161.2 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.233 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.93 115.85 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.09 9.5 60.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -59.98 130.17 45.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 111.197 175.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.2 t -90.47 135.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -168.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.9 mtm -88.34 124.65 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -79.52 -43.27 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.84 149.2 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.17 122.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -123.73 140.19 53.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -172.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.5 t -128.13 139.54 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -148.98 168.39 23.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -100.59 147.26 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.25 133.76 10.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 1 C--O 1.0 -11.424 0 C-N-CA 121.676 1.584 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.1 163.11 13.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.62 130.03 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -143.56 134.31 25.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.59 18.68 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -148.53 146.65 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 111.185 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.62 110.11 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -87.39 121.82 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 172.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mmm -90.59 153.82 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.92 -21.61 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -88.69 4.63 46.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.58 4.62 67.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.52 144.95 44.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -128.9 96.39 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.716 0.294 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -94.32 103.63 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.8 128.05 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.2 p90 -144.72 151.11 38.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -107.3 147.74 29.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.9 mt -109.27 158.83 17.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -119.79 82.3 27.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.97 -5.98 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.726 1.617 . . . . 0.0 111.185 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 -16.82 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -107.44 -29.28 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.24 71.31 3.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.23 -31.76 89.94 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.7 1.6 . . . . 0.0 111.128 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.83 -49.17 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -69.86 -36.46 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.253 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.67 -43.88 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.78 94.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -50.63 -63.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.77 -51.85 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.8 -48.66 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.21 -48.22 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.77 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.5 -16.67 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.73 1.62 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.8 70.19 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.99 -56.45 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.729 0.299 . . . . 0.0 111.181 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -68.89 -29.01 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.203 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -57.61 110.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 -22.93 17.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -81.14 168.05 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.0 p -125.31 175.13 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -169.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -98.94 100.15 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -80.65 -17.64 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -166.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -139.61 84.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -94.44 127.22 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -124.92 91.27 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.25 130.82 39.64 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.681 1.588 . . . . 0.0 111.219 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -8.33 67.98 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -129.9 -90.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.212 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.7 133.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -175.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.2 p -102.38 152.81 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -124.25 140.17 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.94 -177.5 34.1 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.84 40.77 9.23 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -119.12 140.68 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.199 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.43 -20.34 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.646 1.564 . . . . 0.0 111.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -101.28 -49.97 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.194 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.99 36.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -107.22 7.12 29.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.01 -22.34 27.74 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.0 p -121.24 -37.47 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.66 -173.74 52.78 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -150.21 42.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.227 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.1 -42.69 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 16.75 80.49 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -75.55 150.01 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.72 0.295 . . . . 0.0 111.238 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 p -127.01 58.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.229 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.59 124.82 89.99 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.212 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.17 149.06 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.688 1.592 . . . . 0.0 111.194 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 87.2 m -102.37 95.02 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.205 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.93 146.81 54.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.2 p -125.02 -9.54 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -106.81 146.57 30.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -84.94 -33.32 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 0.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -169.71 90.26 0.55 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.67 151.22 10.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.686 1.591 . . . . 0.0 111.202 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.07 -171.26 2.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -109.64 151.77 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.81 69.93 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.9 -165.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.8 m -51.23 113.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.252 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.37 -9.61 69.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.08 145.92 34.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.28 116.47 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.233 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 85.2 p -116.65 168.93 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -177.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.9 tpp -114.92 129.84 56.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.31 154.93 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -141.36 166.29 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -120.05 40.02 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -167.99 22.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -69.96 130.0 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 50.54 43.63 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 96' ' ' THR . 38.8 m -139.69 61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.15 152.29 36.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 p -115.6 -163.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.251 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.82 -16.39 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.85 127.04 31.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -134.78 163.82 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -171.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -109.81 153.12 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.7 mt -125.3 109.67 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 158.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.28 134.33 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -100.02 -40.27 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.97 151.3 78.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -49.96 137.23 36.3 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.739 1.626 . . . . 0.0 111.191 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -129.99 98.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.38 -25.51 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.726 1.618 . . . . 0.0 111.215 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.82 -19.55 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.99 110.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.235 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.17 4.79 68.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.81 -50.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -118.47 -179.36 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -109.35 122.72 47.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 84.2 t -80.53 131.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -126.11 -12.43 6.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 -173.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.91 179.04 28.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.33 130.16 7.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 85.3 t -65.06 134.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -116.76 -21.91 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -152.29 145.14 24.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.33 20.4 35.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.51 -33.13 72.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.73 -40.59 95.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.05 -42.42 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.81 -46.45 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.2 p -95.11 14.65 21.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.95 140.94 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -111.2 152.54 26.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.03 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.62 2.91 64.9 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.96 139.43 57.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.36 132.33 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -171.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.3 mtm -81.08 100.66 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.54 -48.91 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -150.12 112.12 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.28 121.48 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -146.97 151.66 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.07 138.98 52.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -136.27 170.12 16.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -96.44 133.71 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -128.96 129.93 23.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 1 C--O 1.0 -11.409 0 C-N-CA 121.701 1.601 . . . . 0.0 111.214 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.9 149.79 49.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -100.06 125.53 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -136.35 129.91 32.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.69 159.1 14.63 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -140.51 128.35 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.315 . . . . 0.0 111.237 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -113.62 115.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp -90.32 119.94 31.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -86.47 154.9 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.49 -4.34 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -96.85 4.82 51.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.44 6.93 70.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.86 136.41 33.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -116.14 94.78 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.69 111.88 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.6 p90 -147.17 151.92 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -175.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.95 154.0 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.01 150.98 27.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.225 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.73 77.87 73.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.88 -15.7 49.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.702 1.601 . . . . 0.0 111.248 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.16 -22.85 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.44 -39.97 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.51 86.07 5.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.3 -48.37 22.12 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.736 1.624 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.95 -49.73 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.0 m -61.86 -43.79 98.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.84 -45.32 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.96 85.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.81 -49.14 78.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.24 -49.3 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.59 -50.6 71.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.3 -49.16 78.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.89 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.91 -17.31 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -84.49 -4.12 58.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.68 61.49 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.08 -58.69 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.169 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 43' ' ' LEU . 63.0 m-85 -69.66 -26.62 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -176.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.41 110.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.263 173.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.32 -6.04 36.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.5 mt -88.65 163.44 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 p -123.3 170.05 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.445 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 75.0 m-85 -94.57 107.67 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 174.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -73.38 -19.5 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.191 -167.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -159.75 91.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -91.34 119.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.19 91.09 47.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.93 130.08 38.72 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.765 1.643 . . . . 0.0 111.173 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.13 68.69 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 53' ' ' VAL . 16.7 t80 -139.97 -93.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 174.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 52' ' ' PHE . 18.4 m -139.99 155.17 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 173.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -111.92 103.0 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -89.87 139.78 30.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -161.35 178.38 37.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.68 20.99 4.81 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -114.45 140.7 25.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.45 -20.23 12.54 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.672 1.581 . . . . 0.0 111.288 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.84 -20.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.291 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.46 28.91 51.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -104.48 6.81 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.44 -5.14 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -112.48 120.46 41.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.96 174.12 53.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -103.27 29.76 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.253 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.2 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.17 -0.8 88.87 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.07 176.31 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.224 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.4 m -92.28 137.86 32.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.2 pt -119.11 156.58 52.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.37 140.72 19.63 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.683 1.589 . . . . 0.0 111.123 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 70.7 m -128.79 141.26 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -104.61 120.49 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -172.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -100.54 -16.15 17.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.259 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.91 150.93 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -100.11 -20.12 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 3.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.23 125.38 86.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -54.78 156.5 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -120.05 100.31 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.19 -29.43 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -169.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.8 m80 55.67 74.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.08 178.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -55.21 119.57 5.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.9 57.85 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.59 147.74 48.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.7 mtp -120.6 126.78 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 34.9 t -136.36 138.11 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -169.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.3 mtp -89.94 145.47 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.29 134.31 34.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -151.89 169.97 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 175.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.86 37.77 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.75 171.86 12.34 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -70.05 133.83 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.218 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 58.76 30.82 20.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.244 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -153.04 78.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.79 -174.72 16.28 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.0 p -119.93 178.45 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 111.213 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 82.3 m -77.85 -7.29 56.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.34 148.79 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -141.74 176.66 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.3 150.0 24.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.76 127.86 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.19 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.0 t -81.89 129.89 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -92.91 -41.62 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -127.08 150.11 71.22 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.67 127.38 25.2 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.685 1.59 . . . . 0.0 111.228 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -136.25 82.99 33.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.272 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.19 -25.28 63.56 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.678 1.585 . . . . 0.0 111.231 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -64.63 -21.09 66.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.83 -11.59 55.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.58 107.37 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.77 57.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.08 -43.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.245 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.01 174.51 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.2 173.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.6 m -119.54 109.89 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 63.2 t -65.52 133.24 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 169.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.4 -17.78 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.3 -173.21 29.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -157.86 131.61 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.434 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 86.1 t -65.48 133.21 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.201 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.3 p -115.93 -21.85 9.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.5 t -151.41 140.04 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.224 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.28 17.19 47.45 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.1 tpt -58.11 -30.79 66.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.204 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.68 -45.45 92.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.24 -41.86 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.03 -48.4 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.61 -30.18 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -98.51 20.95 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 55.0 mtt -64.88 156.01 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -123.43 159.45 28.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -69.78 102.64 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.1 31.18 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.21 146.69 32.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.83 130.71 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -165.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -85.52 103.87 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -47.9 76.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -150.08 112.12 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.84 132.98 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -161.16 152.35 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.6 t -131.48 137.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.78 166.41 16.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -99.93 80.07 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.02 128.27 91.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 1 C--O 1.0 -11.413 0 C-N-CA 121.724 1.616 . . . . 0.0 111.182 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.835 0.35 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.26 162.73 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -145.84 171.34 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -152.52 173.09 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.71 -172.18 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.52 149.88 22.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.52 123.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 tp -92.34 118.28 30.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mmm -89.15 154.24 20.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.23 -19.35 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.213 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -88.32 -1.35 57.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.96 -0.76 64.69 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.41 53.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.61 125.99 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.227 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -119.17 101.39 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.226 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -91.83 135.93 33.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -145.83 152.26 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.209 -173.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.32 160.64 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.06 155.27 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -122.65 77.49 47.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.71 -14.14 32.83 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.786 1.657 . . . . 0.0 111.139 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -90.09 -6.2 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -113.91 -34.76 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.51 71.47 14.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.193 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.05 -30.76 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.714 1.609 . . . . 0.0 111.182 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.08 -17.76 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.229 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -102.87 -44.03 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.9 -40.18 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.01 82.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.253 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -70.06 -37.67 75.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.1 -52.13 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 175.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -57.79 -49.92 74.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.43 -56.98 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.13 -41.83 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.4 56.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.17 -23.9 59.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.45 6.06 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.6 18.65 67.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 166.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.97 -20.77 44.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.252 176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -100.03 23.9 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.239 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.81 115.73 27.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.3 19.9 47.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.91 145.04 54.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -113.54 143.79 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 49.5 m-85 -81.63 157.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -120.01 -47.71 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -170.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -137.39 89.03 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.07 113.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 84.6 mt -118.12 105.1 47.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.268 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -52.41 123.08 11.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.647 1.565 . . . . 0.0 111.198 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 10.9 64.03 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -139.99 -92.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 111.221 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.23 130.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.213 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.6 p -96.82 74.12 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 102' ' ' PHE . 28.5 tt0 -82.45 125.76 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 -174.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -179.08 -148.77 7.88 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.09 38.09 11.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 52.9 t -108.76 137.27 20.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -54.73 -33.32 79.91 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.656 1.571 . . . . 0.0 111.215 -177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -113.9 -19.75 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -174.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.03 65.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -100.09 4.04 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.71 0.72 83.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -116.01 110.64 19.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.71 110.91 3.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -107.87 15.52 24.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 111.248 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.34 72.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.227 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.11 14.22 59.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -120.05 140.25 51.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.3 m -125.88 138.13 53.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.3 mt -118.62 131.49 24.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -76.65 166.42 27.22 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.726 1.618 . . . . 0.0 111.174 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.6 93.63 7.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -49.93 110.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -103.14 88.34 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -148.04 -147.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.257 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.94 -29.93 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.197 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -50.0 110.48 1.65 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -61.12 -27.6 84.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.684 1.589 . . . . 0.0 111.184 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 55.28 45.2 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -70.66 118.64 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.97 82.77 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.8 m -125.23 -176.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 177.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 m -47.71 116.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.11 -26.98 13.54 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.51 138.41 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 111.222 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.2 ttm -115.55 122.96 47.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.272 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -139.22 144.67 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -167.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.29 155.39 36.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.217 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.9 110.42 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -102.97 142.61 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -133.53 49.96 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.95 172.03 13.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -59.42 119.71 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 111.268 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 51.85 30.93 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 96' ' ' THR . 75.5 m -116.34 65.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.82 132.96 11.53 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -86.83 -170.81 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.5 p -75.56 -9.32 58.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -79.91 150.05 30.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.01 172.95 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.274 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 55' ' ' GLN . 55.1 p90 -148.15 150.59 34.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.176 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.29 133.07 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 173.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.77 130.13 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -93.27 -32.11 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -140.04 152.23 67.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 86.9 Cg_exo -49.56 117.32 2.88 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 121.739 1.626 . . . . 0.0 111.187 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -121.5 101.6 43.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.34 -25.5 65.82 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.682 1.588 . . . . 0.0 111.232 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -82.14 -5.6 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.73 -23.61 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -55.79 112.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.08 5.2 86.12 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.14 -45.2 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 111.198 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -109.09 -170.92 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.5 m -106.98 111.04 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.25 128.54 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -132.05 -14.92 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.71 27.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.25 128.07 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.03 132.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.255 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.2 p -114.91 -22.89 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 t -156.62 140.26 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.87 13.13 57.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.5 tpt -57.7 -29.9 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.232 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.73 -38.65 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.224 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.42 -50.15 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.203 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -75.23 -22.58 57.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 -173.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.3 p -99.21 11.49 38.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -64.44 145.4 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.71 150.14 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -71.16 112.6 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.212 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 117.41 -1.85 18.51 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -58.78 153.69 16.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.0 129.47 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.233 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.6 mtm -83.34 100.0 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -48.8 -46.19 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -168.35 132.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.249 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.88 128.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.187 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.65 140.35 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.75 134.7 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -132.79 149.7 52.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.12 75.14 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.204 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.11 100.06 27.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.667 1.578 . . . . 0.0 111.173 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.61 140.97 33.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.52 149.26 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -159.56 153.51 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.38 140.61 11.86 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -172.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -112.85 136.42 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.54 106.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.01 123.51 32.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 171.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.0 mmm -91.44 153.47 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.0 -20.64 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -94.11 12.09 27.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.63 5.09 67.12 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 172.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.16 157.97 53.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -148.77 100.91 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.143 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.11 117.83 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -112.6 125.23 54.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -142.9 151.64 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.08 161.55 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -120.18 154.73 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.77 75.48 64.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.23 -15.14 45.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.719 1.613 . . . . 0.0 111.202 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.73 -25.97 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.06 -19.72 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.13 72.58 22.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.46 -53.93 5.78 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.65 1.567 . . . . 0.0 111.201 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.67 -49.54 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.235 -171.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -58.17 -49.53 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.186 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.44 -43.37 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.2 73.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.71 -40.94 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.261 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -55.03 -49.8 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.23 -49.93 75.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.52 -41.58 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.98 -50.18 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -79.69 -4.08 50.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -103.32 5.46 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 171.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.42 70.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -70.09 -56.27 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.204 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -73.16 -20.43 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -70.17 86.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.25 15.74 3.01 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 170.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.36 166.77 20.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.184 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 m -112.02 150.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.66 106.57 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.56 -39.85 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.258 -172.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -140.06 89.97 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -78.78 107.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.0 mt -130.35 86.46 53.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.87 140.68 42.86 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.618 . . . . 0.0 111.227 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.35 73.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -134.4 -102.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.9 t -140.29 119.7 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 t -93.41 119.15 32.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -96.94 126.09 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.59 165.01 31.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.53 29.14 2.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.6 m -97.38 140.21 21.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.76 -15.41 13.49 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.663 1.575 . . . . 0.0 111.205 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.45 -5.73 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.31 19.24 79.87 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -99.99 -1.8 36.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 111.177 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.35 3.02 82.24 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -127.15 162.44 26.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 111.187 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.75 162.54 13.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -144.36 -162.53 1.5 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.746 0.308 . . . . 0.0 111.19 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.69 15.84 22.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.21 5.07 76.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -166.33 174.91 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -121.91 160.05 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 pt -127.14 154.5 76.76 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.49 154.4 68.85 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.721 1.614 . . . . 0.0 111.155 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.43 137.64 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -126.73 64.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 78' ' ' ASN . 67.6 p -115.69 -19.92 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.98 -41.44 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.72 41.81 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 75' ' ' THR . 46.1 t30 -122.34 100.19 42.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.53 -25.3 75.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.726 1.618 . . . . 0.0 111.158 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.49 138.72 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -119.04 166.52 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -82.63 73.65 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -119.69 -174.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -51.46 117.61 2.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.73 -28.33 11.62 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.41 138.93 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 -170.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 52.8 ttm -119.73 119.92 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 171.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 39.3 t -124.4 133.89 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -168.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.2 tpp -77.16 128.9 35.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.31 151.55 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.165 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -140.02 169.73 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.84 31.44 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.06 -173.41 21.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -59.95 123.35 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 111.272 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 54.72 40.1 31.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.217 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 96' ' ' THR . 47.3 m -132.13 50.95 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 154.91 51.02 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -116.56 -127.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.177 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 17.9 p -133.18 -11.95 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -72.68 155.64 39.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -145.01 156.36 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.26 131.41 55.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -97.09 105.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.206 166.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.88 126.91 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -109.78 -25.44 10.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 175.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -129.11 133.13 24.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 173.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.27 131.16 17.98 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.697 1.598 . . . . 0.0 111.191 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.38 99.9 26.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.18 -36.04 84.49 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.758 1.639 . . . . 0.0 111.22 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.05 -19.94 64.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.4 mt -113.54 -2.44 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -65.07 104.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.12 5.06 86.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -79.06 -53.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -98.45 -179.83 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 m -100.79 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.4 t -70.74 118.73 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 173.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -124.57 -13.44 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 -170.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.72 179.15 24.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.13 126.93 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.44 129.9 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.1 p -115.19 -20.02 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -155.01 146.74 23.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 23.11 59.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 ptm -67.99 -19.99 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -92.59 4.94 52.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.68 -44.6 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.215 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.02 -31.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.3 p -96.41 -20.82 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 39.0 mmt -71.1 149.97 45.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.227 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -104.59 161.84 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -65.28 134.87 54.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.77 69.65 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.85 147.31 53.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.87 144.24 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.427 ' SD ' HG22 ' A' ' 140' ' ' VAL . 62.3 mtt -73.01 148.85 43.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -103.41 -49.49 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -150.02 112.04 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.427 HG22 ' SD ' ' A' ' 137' ' ' MET . 63.7 t -118.15 127.16 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -144.85 149.85 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -129.94 139.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -149.99 163.9 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -100.98 113.98 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -90.12 123.4 65.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 1 C--O 1.0 -11.399 0 C-N-CA 121.755 1.636 . . . . 0.0 111.211 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.774 0.321 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.97 154.97 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.11 178.59 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -137.24 138.73 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.232 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.03 151.88 17.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -126.9 128.24 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.01 117.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 170.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.8 tp -102.64 123.65 46.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mmm -88.87 148.9 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.216 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -64.11 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.05 -11.38 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -4.68 50.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 155.79 50.43 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -130.04 130.02 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.218 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.1 mt -120.54 110.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.224 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -113.54 128.85 56.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.444 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 28.0 p90 -144.34 150.39 37.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.203 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.73 153.59 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -110.37 144.85 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.208 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -130.4 82.05 66.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.92 -14.99 48.2 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.672 1.581 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.45 -24.39 61.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.67 -41.74 11.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.42 90.27 4.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.24 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.31 -56.32 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.668 1.578 . . . . 0.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.89 -40.16 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -45.89 85.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.64 -44.36 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.89 78.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.81 -46.59 87.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -56.54 -46.71 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.243 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.27 -49.72 76.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.266 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.9 -41.02 90.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.67 -49.87 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.46 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.256 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.42 5.03 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.28 5.17 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 167.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.58 22.4 69.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.81 -56.45 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -71.02 -21.63 62.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.02 110.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.46 -5.24 35.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.06 151.67 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.18 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -113.91 166.67 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.01 106.04 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 172.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -77.75 -16.82 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -148.8 76.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.53 120.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.15 96.08 29.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.63 139.87 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.662 1.574 . . . . 0.0 111.215 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.93 -11.89 70.15 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -131.82 -91.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.179 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.82 129.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -93.14 126.79 38.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.29 130.94 53.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.9 -176.33 26.16 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.57 23.53 4.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.62 127.99 26.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -58.94 -34.22 99.03 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.675 1.583 . . . . 0.0 111.172 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.5 -18.91 12.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.88 23.42 61.89 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -100.05 5.17 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 111.198 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.81 3.19 74.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -116.07 118.36 32.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 111.203 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.57 177.26 52.58 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -143.22 80.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.28 155.01 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.41 30.88 9.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -119.9 143.67 47.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -120.65 159.99 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.5 100.01 52.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.39 144.48 96.34 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.722 1.614 . . . . 0.0 111.176 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.4 t -72.5 102.38 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.86 142.9 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.1 p -125.07 -23.7 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -109.96 149.91 29.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -97.45 -30.0 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 3.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -97.28 150.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.31 175.16 11.67 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.705 1.603 . . . . 0.0 111.207 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -106.27 141.19 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.92 96.28 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 -176.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -73.95 71.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.2 m -106.58 -173.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -53.55 117.18 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -22.82 37.89 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.11 139.42 52.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.226 -170.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.6 mtp -123.28 130.36 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.5 p -136.63 164.6 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 69.3 mtp -114.54 143.97 44.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.19 135.08 47.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -149.99 165.54 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -138.62 27.93 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.89 -171.27 21.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.55 133.91 52.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 53.27 30.12 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.5 m -142.17 119.89 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.221 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.42 -161.49 32.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.0 p -142.2 -179.88 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.4 p -83.58 -9.81 58.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.22 147.46 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.63 170.02 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -173.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -126.94 144.02 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.6 mt -119.31 111.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 167.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.13 139.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -170.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.49 -40.19 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.191 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -131.18 158.68 74.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.238 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.6 Cg_exo -49.83 119.49 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.642 1.561 . . . . 0.0 111.168 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 96.9 mm-40 -121.28 89.03 46.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 177.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 108' ' ' GLN . 52.7 Cg_endo -65.07 -20.0 63.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.655 1.57 . . . . 0.0 111.286 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.0 mt -106.42 0.75 25.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -65.66 100.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.26 -4.84 65.04 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.95 -44.23 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -117.78 169.86 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.9 m -97.92 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.2 132.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -128.08 -16.65 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.24 -177.89 33.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -158.38 129.28 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.444 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 88.8 t -64.63 130.94 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.6 p -118.57 -18.82 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.8 t -145.01 142.95 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.264 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.19 15.46 51.33 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.05 -30.1 68.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 111.172 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -57.04 -33.81 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.0 t -79.84 -46.0 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 -43.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -78.28 -10.0 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -115.48 17.64 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 96.7 mtp -67.82 155.37 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.83 152.4 47.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -65.11 127.04 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.78 -4.99 42.8 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -59.6 145.07 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.266 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.3 p -123.6 140.31 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.199 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -81.76 104.86 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.89 -43.61 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -161.21 153.85 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 173.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.81 129.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.34 160.95 37.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.2 t -134.85 133.48 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.09 151.42 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -76.25 77.29 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -123.51 91.32 49.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.414 0 C-N-CA 121.689 1.592 . . . . 0.0 111.214 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.13 144.89 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.52 144.54 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -135.55 164.76 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.63 160.29 23.73 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -143.06 130.66 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -117.34 111.1 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 tp -90.63 129.91 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 168.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.8 mtt -101.12 154.42 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -60.0 -27.9 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.7 4.89 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.32 -0.89 62.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.66 138.5 44.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.85 96.37 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.257 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -100.65 124.66 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.55 133.16 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 40.7 p90 -144.09 158.23 43.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -173.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.03 155.68 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -113.19 146.87 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.229 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -129.93 83.6 63.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 -174.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.53 -30.33 53.85 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.73 1.62 . . . . 0.0 111.173 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.4 -32.26 72.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.12 -40.31 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.05 87.83 5.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.15 -51.7 9.56 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.683 1.589 . . . . 0.0 111.215 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.37 -41.81 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 m -60.87 -46.56 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.5 -44.96 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.0 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -68.54 -40.73 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -60.32 -47.16 87.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -56.76 -48.71 77.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -50.87 -53.39 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.16 -50.55 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.84 92.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.203 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -83.65 4.49 28.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -107.65 6.13 27.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 168.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.04 20.92 72.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.03 -56.48 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.7 m-85 -74.01 -23.8 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -177.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -61.38 110.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.08 -10.0 36.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.2 mt -85.56 166.39 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.259 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -119.63 -169.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -105.16 153.42 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -92.54 -80.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -99.69 107.42 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.3 t -102.3 123.91 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.9 90.08 43.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -62.46 129.87 28.14 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.703 1.602 . . . . 0.0 111.224 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.87 5.04 78.15 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -132.63 -86.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.251 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.26 130.08 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -118.98 147.08 44.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -110.69 135.31 51.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 164.05 40.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.23 -148.37 19.8 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 31.0 p -151.75 157.92 34.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.225 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 55.6 Cg_endo -69.29 -20.28 37.25 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.173 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -73.49 -28.52 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.222 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.95 15.38 81.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.84 -10.26 21.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -4.98 68.27 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -104.43 110.83 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.213 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.63 138.32 48.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -150.32 96.66 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.139 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.04 -2.73 58.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.24 71.74 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -168.06 178.95 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -119.37 158.49 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.96 115.55 40.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.69 137.16 42.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.713 1.609 . . . . 0.0 111.259 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.4 t -73.58 123.45 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.26 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -104.47 4.65 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.5 m -64.19 -36.9 85.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.02 -33.33 73.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.18 -32.82 59.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -144.58 90.0 6.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.01 143.11 74.79 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -157.69 179.86 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -172.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -126.87 146.49 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.21 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.68 80.3 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.69 -164.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -51.83 116.43 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.31 -11.39 68.98 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 136.99 47.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.414 ' HE3' HG12 ' A' ' 103' ' ' ILE . 59.7 ttm -120.23 118.78 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 94.8 p -125.33 151.02 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -172.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.3 tpp -89.87 133.27 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.269 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.38 130.31 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.479 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 31.0 p80 -159.35 -177.46 6.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 171.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.42 31.94 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.35 -168.44 23.79 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.98 119.8 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 111.227 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.0 t0 69.91 41.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 p -130.62 26.51 5.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.231 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -75.48 154.32 45.61 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -171.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -117.04 -171.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 174.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.9 p -81.06 -10.1 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.262 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -85.65 149.49 25.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -148.94 154.01 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -101.63 127.25 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.414 HG12 ' HE3' ' A' ' 87' ' ' MET . 79.1 mt -96.99 110.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 168.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.39 124.7 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -95.01 -50.0 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -106.56 150.15 39.23 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.2 130.47 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.585 1.524 . . . . 0.0 111.237 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.98 90.09 43.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.25 53.86 4.7 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.678 1.585 . . . . 0.0 111.182 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.71 -23.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.5 2.66 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.92 110.51 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.97 -8.28 70.23 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.52 -40.61 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -127.12 179.17 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -123.71 109.67 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.282 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 70.9 t -67.49 130.14 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 175.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -128.36 -11.88 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -150.96 -176.73 24.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -158.56 127.45 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 111.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.433 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 90.2 t -67.47 133.28 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.6 p -117.68 -21.9 8.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.6 t -147.99 148.53 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.94 15.37 52.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.8 mtp -61.41 -28.56 69.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.219 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.29 -28.42 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.43 -43.0 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 176.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.77 -47.35 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -68.81 -11.13 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.8 p -118.64 19.67 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.5 ttm -58.06 132.91 54.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -80.11 154.45 28.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -66.98 107.77 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 31.01 55.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -50.08 120.12 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.61 122.85 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.5 mtm -85.6 113.37 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.07 -40.76 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -170.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -152.35 109.58 3.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.85 129.81 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.04 159.5 43.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -129.75 139.79 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -142.85 172.57 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -116.05 124.17 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -132.77 130.96 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 1 C--O 1.001 -11.351 0 C-N-CA 121.732 1.621 . . . . 0.0 111.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -130.46 156.07 45.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -153.49 -179.98 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.35 -167.02 34.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -150.94 149.82 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.145 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.2 mt -109.17 101.86 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 tp -79.87 120.47 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.4 mmm -90.04 147.73 23.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.55 5.34 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.99 58.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.52 170.65 53.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -157.49 127.81 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.44 105.34 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -88.32 132.42 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -139.65 161.37 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -123.21 150.12 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.08 153.12 26.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -127.19 92.46 43.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.14 -28.84 53.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.697 1.598 . . . . 0.0 111.174 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.12 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.81 -43.21 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.32 93.39 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.225 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.71 -46.73 31.15 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.741 1.627 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -47.4 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.4 m -62.72 -46.65 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.08 -48.2 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.0 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.02 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.85 -44.16 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.19 -46.99 87.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.56 -42.62 88.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.32 -50.1 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.252 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.8 83.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.228 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -77.75 -5.14 49.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 -174.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -99.14 3.54 46.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.08 18.41 80.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.76 -41.77 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.15 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' HA ' HD22 ' A' ' 43' ' ' LEU . 70.6 m-85 -85.6 0.15 53.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -171.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -69.95 102.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.23 -1.6 31.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 40' ' ' TYR . 11.1 mp -87.07 142.12 28.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 111.198 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -114.53 165.45 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -170.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -91.96 99.01 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 168.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -81.74 -14.2 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -168.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -134.86 80.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.49 130.15 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -121.78 96.66 46.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.95 122.28 11.4 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.735 1.624 . . . . 0.0 111.212 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.79 -16.3 58.72 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -128.99 -128.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.237 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.87 120.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.1 m -105.95 148.52 27.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -123.82 135.46 53.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.68 176.11 26.69 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.25 24.41 1.45 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -109.98 113.26 57.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.38 102.65 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.736 1.624 . . . . 0.0 111.181 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 50.04 31.27 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.97 59.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -96.13 13.21 28.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.241 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.11 -97.55 2.34 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -115.26 119.7 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.197 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.32 40.65 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -77.34 73.35 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.43 -44.02 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.44 14.82 70.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -124.83 122.81 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -128.68 129.99 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.14 158.52 63.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -87.21 179.47 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.705 1.603 . . . . 0.0 111.177 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.08 109.7 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 170.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -100.4 144.76 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.6 p -129.07 -11.87 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.1 m-20 -109.18 149.99 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.8 m-80 -99.56 -22.18 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 6.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -98.79 150.14 36.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.01 139.19 70.71 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -110.23 60.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.63 148.53 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -92.9 72.11 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.86 -171.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -54.32 111.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.57 -10.02 66.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.73 144.91 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.208 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.42 122.26 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 97.3 p -124.73 153.76 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.0 tpp -90.03 130.37 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 132.12 46.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -160.58 -178.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.85 -4.62 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.55 -146.39 12.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -75.49 129.51 37.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 57.64 55.28 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.1 p -138.22 -8.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.19 165.09 43.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 91.7 p -150.04 -119.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.73 0.3 . . . . 0.0 111.239 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -128.51 -8.12 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.185 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -78.52 141.49 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -145.28 164.97 29.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -171.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.84 154.98 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.27 119.8 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 163.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.73 122.91 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.57 -51.41 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 39.3 tp10 -106.05 130.98 22.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.23 173.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 87.1 Cg_exo -51.17 137.89 45.42 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.723 1.615 . . . . 0.0 111.25 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -128.08 97.01 30.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.17 -32.94 89.06 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.76 1.64 . . . . 0.0 111.159 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -77.53 -9.11 58.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.257 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.78 -5.6 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.61 112.75 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.95 82.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.56 -42.61 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.74 168.15 11.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.0 m -89.67 101.18 13.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.226 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.8 t -70.26 130.02 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -132.67 -15.74 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.2 179.94 25.59 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -158.35 129.38 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.205 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.0 134.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 78.1 p -114.75 -21.53 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.7 t -157.44 141.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.91 11.2 60.54 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.44 -29.01 61.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -54.46 -31.94 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.06 -36.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.0 -48.04 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.216 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.7 ttp-105 -58.48 -38.38 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 p -97.05 10.08 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.2 ttm -69.71 142.55 53.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.04 150.12 21.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -60.83 115.78 3.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.67 19.08 49.78 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -57.44 134.1 55.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.25 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.9 132.76 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.8 mtm -83.76 126.1 32.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.95 -47.56 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -148.79 108.16 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.8 119.36 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.67 148.36 51.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.5 t -134.96 139.2 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -144.66 165.04 29.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.04 139.91 36.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -159.98 73.85 3.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 1 C--O 1.0 -11.386 0 C-N-CA 121.613 1.542 . . . . 0.0 111.232 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.05 129.98 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.234 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.22 176.49 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.02 -176.68 41.06 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -149.93 157.26 42.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.27 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.7 mt -118.51 111.26 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 tp -90.7 120.13 31.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.2 mmm -92.6 153.31 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.22 -25.01 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -94.55 12.78 26.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.87 10.59 78.58 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 64.87 4.1 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.26 116.43 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.41 156.23 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.278 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -118.72 148.55 42.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -145.07 165.08 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.45 153.26 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.74 156.92 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -129.28 80.04 73.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -66.88 -16.1 48.95 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.624 1.549 . . . . 0.0 111.201 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -82.54 -9.49 59.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -108.04 -37.36 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.17 78.62 16.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.98 -48.62 21.16 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.681 1.587 . . . . 0.0 111.179 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.24 -50.92 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 -171.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.8 m -62.19 -42.47 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.87 -44.82 99.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.42 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.54 -43.28 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -56.1 -48.93 75.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.62 -45.57 91.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.51 -45.27 89.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.71 -46.65 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.84 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.93 -4.98 54.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.29 22.74 72.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -51.19 -43.73 61.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.327 . . . . 0.0 111.202 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -82.26 -16.85 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -171.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -70.05 103.55 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.04 -14.29 31.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.91 163.94 21.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 p -120.9 166.84 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 28.3 m-85 -80.86 124.18 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -54.95 -54.84 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -159.97 129.76 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.2 114.98 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.78 104.59 56.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.19 130.86 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.176 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.59 79.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -141.24 -92.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.1 t -144.07 138.54 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -109.22 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -105.39 130.08 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -79.87 160.54 44.98 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.06 -148.46 24.22 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 30.4 p -154.83 164.54 20.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -169.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 89.3 Cg_exo -54.93 -35.41 89.37 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.654 1.57 . . . . 0.0 111.15 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.1 -36.26 83.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.85 84.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -173.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -101.46 -3.62 28.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.09 4.82 77.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -117.25 112.98 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.99 145.23 44.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -153.22 44.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 -18.68 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.6 -2.46 58.85 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.33 69.03 7.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 m -103.58 121.99 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.195 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.416 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 46.7 pt -130.02 159.35 70.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 178.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 71' ' ' ILE . 94.5 Cg_endo -71.94 163.61 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.748 1.632 . . . . 0.0 111.176 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.71 136.76 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -89.76 -6.09 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.2 p -69.03 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.36 -35.52 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.83 -27.19 11.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -143.56 83.33 10.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -51.05 130.79 32.96 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.683 1.589 . . . . 0.0 111.224 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.77 141.77 43.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -102.69 144.67 30.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -109.8 108.03 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.32 -178.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -54.96 118.51 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.44 -19.3 42.78 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.94 143.43 56.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -171.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.3 mtp -118.76 127.85 53.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -141.11 142.78 34.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 38.5 ttm -68.77 135.78 51.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.92 150.34 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -129.18 146.21 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -99.86 7.48 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.14 -174.43 36.9 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -59.45 120.06 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 53.04 33.92 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -126.35 68.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.38 159.68 47.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.5 p -118.81 -178.07 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 111.146 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.47 2.56 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -90.26 144.02 26.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -130.09 156.59 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -138.25 151.04 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.99 123.72 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.19 135.04 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.6 -31.32 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.79 149.19 72.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.49 134.42 39.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.716 1.61 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -125.12 87.67 55.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.03 -31.94 66.48 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.712 1.608 . . . . 0.0 111.195 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -71.24 -24.13 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.63 -9.57 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.68 125.09 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 4.92 85.5 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.6 t -102.62 -48.39 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -109.87 160.3 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -96.47 110.43 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.95 134.89 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 -15.31 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -171.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.21 -167.2 30.33 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -159.71 149.57 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 111.262 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.67 130.21 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 -18.85 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -171.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.7 p -136.93 146.43 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 67.32 34.92 86.75 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 75.7 mtm -59.79 -39.1 83.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.82 -39.08 93.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.81 -43.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.87 -44.1 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.02 -35.75 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.7 p -96.37 17.11 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.66 160.01 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.62 159.17 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -68.77 110.55 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.59 12.76 57.88 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -60.02 132.71 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.209 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.1 t -88.37 129.17 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 -167.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.0 mtm -85.48 123.01 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -89.75 -40.28 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.261 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -157.65 136.14 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.6 t -128.14 120.59 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 170.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -127.27 133.55 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -172.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -118.42 139.9 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.05 165.74 28.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.01 149.98 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -125.31 129.97 24.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.67 1.58 . . . . 0.0 111.197 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -89.92 139.95 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.3 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -149.07 167.02 27.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.33 165.63 25.7 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -140.02 119.91 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.181 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 96.6 mt -92.03 125.62 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.1 tp -111.16 120.09 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mmm -90.36 153.99 20.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.51 -27.52 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -92.84 16.95 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.64 12.54 69.12 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.63 136.98 36.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -124.46 95.21 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -175.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 78.3 mt -115.77 105.13 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -175.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -103.63 134.2 47.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -142.99 158.98 43.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -104.58 157.96 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.68 147.48 33.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.75 83.1 58.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -66.49 -14.56 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -67.54 -29.1 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' ASN . 99.3 mt-10 -78.94 -36.97 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.11 93.67 1.02 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.46 -47.04 29.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.621 . . . . 0.0 111.17 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.43 -44.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.5 m -64.12 -48.47 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.32 -40.4 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.08 78.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -61.69 -42.7 99.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.232 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.08 -50.92 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.74 -46.3 90.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -44.03 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.89 -45.92 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.54 94.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.51 -29.94 70.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.96 -4.71 58.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 3.31 58.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -67.17 -30.02 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.159 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.97 30.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 139' ' ' GLU . 93.5 m-20 -119.98 50.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.62 61.18 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.71 159.61 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.5 m -114.22 148.26 37.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 51.3 m-85 -97.07 97.8 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.84 -43.08 59.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -170.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -120.18 80.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.36 123.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt -119.43 97.3 50.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.239 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 127.85 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.227 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.27 -8.94 67.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 -66.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.233 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.6 p -170.8 140.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -171.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -99.25 106.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 170.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -92.23 119.73 32.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.6 177.87 42.34 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -174.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.85 24.43 2.8 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.9 t -100.0 129.46 28.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.204 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.99 -16.27 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.705 1.603 . . . . 0.0 111.182 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -98.5 -23.91 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.48 15.21 81.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -99.69 -0.46 40.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.226 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.4 -4.97 62.44 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -116.38 103.96 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 111.227 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.75 155.06 53.22 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -145.37 99.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.221 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.31 -14.1 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.6 -8.42 74.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -162.9 167.43 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -89.71 132.55 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.9 mt -97.48 125.45 45.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -56.88 144.7 87.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.696 1.597 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.3 t -95.79 97.99 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -89.53 120.04 30.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.1 p -99.2 -5.01 30.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -108.01 147.54 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -99.09 -38.39 8.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 6.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB2' ' HA ' ' A' ' 23' ' ' GLU . 99.1 m-20 -80.04 153.54 74.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 170.45 20.16 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.662 1.575 . . . . 0.0 111.153 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.55 67.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -82.11 144.51 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -101.2 94.82 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -104.02 -171.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.7 m -55.66 109.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.42 -3.36 68.85 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.08 140.29 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.0 mtp -119.63 127.99 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.3 p -137.64 153.64 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.7 mmm -88.25 139.02 30.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.29 130.29 37.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -157.19 177.19 11.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.22 33.32 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.195 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.51 -169.65 21.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.01 121.86 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.189 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 t0 69.88 47.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -138.7 0.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.85 152.08 48.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 p -119.46 -178.16 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 174.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.0 p -69.63 -18.98 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -63.29 142.64 58.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -147.63 171.72 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.27 138.67 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.06 106.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 164.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.96 138.59 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -173.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -90.65 -95.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.88 155.76 90.35 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 164.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.37 141.31 72.34 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.733 1.622 . . . . 0.0 111.169 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -126.86 87.98 55.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.76 -31.29 91.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.701 1.601 . . . . 0.0 111.188 -175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.42 -9.94 59.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -172.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.55 -4.89 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -60.86 106.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.37 -5.01 67.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -77.34 -47.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.77 169.07 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.0 m -95.59 101.36 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.38 130.32 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -126.18 -17.81 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.35 -173.91 27.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -159.95 129.9 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.269 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.9 130.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.9 p -115.12 -20.59 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -147.01 140.07 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.83 22.23 26.37 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.24 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.84 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.49 -41.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.92 -52.25 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.64 -29.81 67.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.6 p -96.02 13.27 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.222 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -61.23 144.66 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.39 149.95 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.99 110.05 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.244 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.1 7.57 52.23 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.27 130.3 46.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.136 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -94.92 132.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -173.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.0 ttp -88.53 136.04 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.03 -52.05 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 41' ' ' ASN . 25.2 pt-20 -166.92 162.71 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.2 t -130.0 132.5 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.75 154.5 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.02 131.24 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -129.93 160.37 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -122.08 137.59 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -131.17 129.73 22.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.001 -11.344 0 C-N-CA 121.646 1.564 . . . . 0.0 111.205 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.87 150.34 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.33 131.92 38.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.49 -175.0 14.71 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -153.99 147.08 24.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.249 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -106.39 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 165.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.44 122.53 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 mtt -95.07 152.7 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.02 -20.37 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.264 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.69 1.38 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.07 7.74 69.87 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.38 63.87 4.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.22 126.25 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 111.19 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -116.3 116.02 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.85 135.34 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.32 161.02 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.248 -169.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -120.24 141.32 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.42 154.01 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.85 80.53 25.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.47 -14.89 43.93 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.613 . . . . 0.0 111.199 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -69.85 -29.48 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.64 -35.45 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.94 79.04 23.58 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.32 -48.83 19.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.691 1.594 . . . . 0.0 111.186 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.98 -51.37 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.1 m -63.39 -44.6 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.23 -43.23 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.1 85.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.42 -49.2 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.93 -46.09 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.59 -50.07 71.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.52 -49.7 76.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.59 -49.76 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.59 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.85 -23.11 60.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.62 1.97 39.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.99 63.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.64 -58.13 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -70.12 -26.47 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -61.82 110.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.53 32.06 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.26 168.99 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -124.97 174.29 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.4 96.51 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.04 90.09 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.84 129.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.5 mt -122.23 94.29 48.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.64 128.97 32.52 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.654 1.569 . . . . 0.0 111.223 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.21 67.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -130.01 -96.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.202 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.98 177.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -146.58 146.0 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -124.69 134.72 52.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.95 -173.81 25.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.55 18.01 55.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.91 121.65 72.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.41 -21.93 7.21 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.714 1.609 . . . . 0.0 111.208 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -85.44 -32.8 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.08 6.69 89.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -110.13 6.7 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -12.94 67.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -103.9 134.14 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.75 168.87 54.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -133.77 59.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.707 0.289 . . . . 0.0 111.201 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.43 167.65 28.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.99 92.16 0.14 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.21 149.56 25.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.8 m -87.44 103.21 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mm -112.53 101.16 52.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.08 143.07 94.01 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.731 1.621 . . . . 0.0 111.18 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.11 64.13 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.88 122.83 24.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.225 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -118.86 -21.53 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -61.35 108.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.231 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.0 t30 57.81 41.25 25.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -147.14 74.96 11.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.68 140.51 90.71 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.712 1.608 . . . . 0.0 111.212 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.42 51.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.42 131.57 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -100.14 76.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.1 m -112.65 -178.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.9 m -53.53 118.05 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.01 -7.42 67.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 129.66 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 60.8 ttm -116.88 123.75 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -132.26 155.42 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.4 tpp -94.87 133.49 38.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.82 144.97 52.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -155.73 165.19 37.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.07 38.65 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.66 -177.63 16.96 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -69.22 139.95 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.768 0.318 . . . . 0.0 111.179 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 58.08 34.89 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -149.38 69.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.16 161.36 15.59 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.5 p -117.73 -173.08 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 111.225 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.8 p -90.58 -0.45 57.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.87 149.95 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.05 159.26 42.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.6 144.69 40.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 115.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 165.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.3 t -81.75 139.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -98.22 -40.35 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -136.22 153.83 76.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.0 Cg_exo -52.66 121.94 10.04 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.69 1.593 . . . . 0.0 111.172 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -126.07 94.01 42.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -56.01 -32.77 87.38 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.679 1.586 . . . . 0.0 111.188 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -79.17 -9.84 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.49 -2.7 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.46 133.73 51.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.27 5.03 89.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.3 t -81.97 -49.67 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -110.77 169.9 8.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.0 m -89.73 99.45 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.0 t -78.16 129.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.275 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -138.61 -13.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.08 155.16 22.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -139.97 121.01 14.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.76 134.48 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.6 p -116.18 -21.76 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 t -148.41 140.19 23.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.51 35.25 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -172.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.6 mtp -64.61 -26.31 68.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.08 -41.2 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 172.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.71 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.36 -51.37 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 174.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -50.62 -49.66 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.2 p -112.15 50.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 95.3 mtp -65.12 146.71 54.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 173.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -91.42 133.52 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -66.19 121.96 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.28 10.45 77.66 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 135.88 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.192 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.88 129.19 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -175.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 75.6 mtm -80.74 100.09 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.23 -45.97 90.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -152.11 113.81 4.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.93 115.34 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -129.98 149.94 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.3 t -135.27 127.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.93 132.48 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.33 133.25 45.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.64 149.43 48.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.25 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 1 C--O 1.0 -11.411 0 C-N-CA 121.697 1.598 . . . . 0.0 111.196 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -140.0 150.05 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -144.77 138.04 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.71 -176.38 17.69 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -154.91 151.46 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.7 111.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 169.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -89.25 125.66 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -88.04 160.24 17.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.42 -16.22 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -88.69 0.36 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.182 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.22 4.57 71.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 104.18 2.0 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.94 114.82 26.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.18 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.03 119.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.63 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -144.95 157.44 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.36 145.47 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.53 155.95 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.1 75.67 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.15 -19.07 45.33 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.751 1.634 . . . . 0.0 111.178 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -69.29 -28.75 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -99.97 -32.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.13 75.63 53.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.13 -57.18 2.15 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.66 1.573 . . . . 0.0 111.209 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.45 -50.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -170.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.6 m -60.15 -49.72 76.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.76 -41.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.44 88.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.9 -42.29 94.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.03 -50.94 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.0 -43.86 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.3 -49.78 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -58.48 -46.8 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.95 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -67.16 -31.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -81.74 1.14 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 23.06 75.79 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.06 -57.79 7.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.03 -27.19 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.217 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -61.66 110.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.79 30.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.3 mt -88.59 173.58 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 p -128.93 174.02 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -170.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 68.3 m-85 -99.79 96.22 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 166.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -71.05 -32.27 68.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -119.32 76.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 -172.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 74.5 t -101.32 119.67 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.89 101.11 53.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.34 132.75 54.06 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.691 1.594 . . . . 0.0 111.238 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.15 8.7 87.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -133.43 -77.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.315 . . . . 0.0 111.169 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.77 139.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.229 -172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -117.25 100.62 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -96.56 134.09 40.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -159.55 -166.27 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.74 13.76 64.32 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.2 t -77.61 125.67 85.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.184 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.22 -20.98 14.05 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.69 1.593 . . . . 0.0 111.236 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -90.33 -25.46 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.82 15.98 80.6 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -102.9 -1.49 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.83 -20.0 52.35 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -130.57 121.1 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.41 -171.09 45.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -135.44 88.29 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.241 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.65 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.31 82.78 0.19 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -97.76 143.17 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -86.31 94.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.248 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -122.45 107.69 34.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.01 156.24 65.92 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.756 1.637 . . . . 0.0 111.108 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.2 t -63.05 99.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.74 82.4 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -103.79 -2.57 26.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.15 100.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.186 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 55.24 38.22 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -173.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -148.75 77.45 9.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.04 129.38 32.87 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.656 1.57 . . . . 0.0 111.215 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -86.68 58.3 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -80.81 117.99 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -101.15 86.48 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.0 m -125.69 -174.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -49.94 117.9 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.98 -17.57 52.06 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 141.55 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.179 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mtp -115.32 127.15 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -139.21 139.23 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 101' ' ' PHE . 99.6 mmm -81.6 148.43 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.7 104.69 6.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -119.93 149.84 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.01 41.83 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.0 178.88 18.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -64.84 147.38 53.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 53.44 29.97 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -150.5 81.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.94 155.36 16.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 p -106.24 -177.64 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 0.0 111.214 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.22 -1.2 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.4 150.0 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' HB3' ' SD ' ' A' ' 89' ' ' MET . 32.2 p90 -138.64 170.1 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.24 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -148.98 148.2 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.7 mt -109.64 131.34 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.42 135.13 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.251 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -97.67 -37.55 9.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -133.5 157.22 78.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.0 Cg_exo -51.35 121.65 8.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 121.693 1.595 . . . . 0.0 111.188 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -127.87 90.0 49.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.96 -30.3 68.55 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.678 1.586 . . . . 0.0 111.244 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.04 -18.77 59.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -91.85 -15.74 27.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.58 126.57 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 3.73 90.29 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.6 t -87.48 -49.58 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -115.26 171.72 7.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.215 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.6 m -94.33 109.75 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.09 133.34 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 172.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.67 -15.93 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -168.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.15 -176.79 33.64 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -156.95 133.59 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -71.93 137.66 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.234 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.1 p -116.69 -29.44 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.7 t -143.23 128.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.11 10.68 64.06 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.54 -42.58 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 111.233 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.0 -40.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.22 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.67 -43.62 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -58.73 -36.18 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.3 p -113.99 28.6 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.49 149.9 45.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.249 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.98 149.84 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 62.7 t30 -70.17 131.14 43.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.19 16.48 62.67 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.98 130.01 44.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.122 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.23 128.98 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 -172.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -83.77 100.9 11.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.73 -45.53 92.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -152.18 112.7 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.8 t -109.06 117.12 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -129.87 142.04 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.3 t -134.77 127.76 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 173.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -120.97 138.01 54.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -175.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -76.62 129.98 37.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.72 149.96 75.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.0 -11.387 0 C-N-CA 121.697 1.598 . . . . 0.0 111.241 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.932 0.396 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' HB2' ' A' ' 19' ' ' LEU . 17.2 ptpt -149.08 163.62 37.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -129.8 175.65 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.03 172.19 33.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -146.82 128.88 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 111.157 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 94.9 mt -102.0 114.21 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 173.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -90.82 120.25 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.2 mmm -89.98 152.42 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -60.26 -25.72 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -90.4 9.43 29.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.81 10.48 69.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 138.66 39.73 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -118.65 93.31 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.144 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 71.9 mt -108.69 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -175.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -101.52 132.01 47.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.55 159.52 41.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.271 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -108.3 156.03 19.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' A' ' 3' ' ' LYS . 97.3 mt -115.73 154.88 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -123.3 78.59 53.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.56 -14.95 40.8 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.634 1.556 . . . . 0.0 111.229 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -87.42 -9.79 53.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.1 -29.99 7.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.92 75.47 24.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.43 -53.92 5.81 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.714 1.609 . . . . 0.0 111.171 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.48 -48.34 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -61.57 -47.67 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -41.51 91.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.257 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.99 -49.94 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.69 -50.0 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -56.0 -56.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.51 -42.97 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.74 76.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -71.56 -21.68 61.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -81.35 -7.9 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.79 14.85 56.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -79.99 -17.81 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -102.1 17.76 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -103.73 113.07 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.21 11.31 39.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 mt -81.29 153.36 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 m -112.98 147.44 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 72.3 m-85 -88.8 104.73 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 169.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -86.2 -20.92 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -166.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -141.79 87.09 2.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -98.91 122.55 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 96.88 49.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -54.99 127.21 25.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.729 1.62 . . . . 0.0 111.215 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.41 -2.05 70.32 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -129.94 -71.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.365 . . . . 0.0 111.209 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -165.44 135.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -171.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.17 100.6 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 171.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -89.98 129.23 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.79 -150.93 6.91 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.87 23.7 68.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -102.83 121.91 47.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.219 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -61.53 -37.22 72.01 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.213 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -91.28 -18.05 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.195 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.89 75.14 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -121.73 8.09 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.152 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.43 -3.74 72.47 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -91.57 114.24 26.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 111.217 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.03 108.72 2.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.87 41.81 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.52 -24.15 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.6 72.41 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -130.8 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 p -133.6 160.22 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.59 109.98 35.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.59 144.92 72.64 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.732 1.621 . . . . 0.0 111.161 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.3 t -62.1 102.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -77.32 129.48 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.6 m -127.48 119.19 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.71 -150.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -27.36 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -59.88 119.52 41.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.98 -29.08 81.25 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.717 1.611 . . . . 0.0 111.211 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 62.63 61.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -79.39 138.47 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -113.21 92.06 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.1 m -122.29 -170.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -54.0 117.2 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' SD ' ' A' ' 125' ' ' MET . . . 100.96 -18.85 54.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.07 127.99 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.3 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.5 mtp -103.38 118.58 37.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -136.91 140.05 42.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.1 mmm -78.69 153.93 30.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 -175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.33 140.18 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -154.34 173.45 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.35 44.38 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.18 168.33 11.34 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.16 139.67 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.261 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 51.59 31.65 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -149.96 75.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.39 -177.5 15.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 p -119.88 -176.03 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.3 p -80.07 -8.4 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -71.58 153.08 42.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -150.03 -179.15 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.08 149.65 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.5 121.74 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.3 140.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.249 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -95.31 -36.28 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -136.75 155.87 76.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 82.0 Cg_exo -49.55 121.23 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.7 1.6 . . . . 0.0 111.234 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -125.85 92.74 45.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -54.62 -29.27 60.02 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.187 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.92 -16.89 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.81 -13.49 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.68 116.76 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.04 2.26 86.13 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -86.88 -49.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 111.193 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.59 169.57 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -91.21 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.6 t -89.01 133.87 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -132.97 -17.84 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.85 -176.82 30.34 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -160.0 129.88 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.2 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.65 131.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.6 p -118.81 -23.7 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -144.79 136.66 25.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.13 63.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.403 ' SD ' ' HA2' ' A' ' 85' ' ' GLY . 14.6 tpt -55.77 -30.03 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 111.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.9 -40.14 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.04 -34.74 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.38 -45.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.73 -33.15 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 82.0 p -100.99 15.61 28.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.8 ttm -62.44 148.68 44.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.71 150.13 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.11 123.4 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.23 -5.16 31.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.35 140.13 58.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.23 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.44 138.69 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.4 mtm -79.97 100.01 7.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.46 -43.15 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -159.98 120.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 73.6 t -111.06 120.15 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -126.49 149.98 49.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.3 134.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.18 148.08 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.68 82.9 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -116.95 93.99 43.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 1 C--O 1.0 -11.402 0 C-N-CA 121.662 1.575 . . . . 0.0 111.289 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -122.75 147.02 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.202 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.22 168.66 19.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.56 160.69 28.88 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -148.77 129.94 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 111.193 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -114.22 119.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.188 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -97.27 129.97 44.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mmt -99.34 154.7 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.67 -21.27 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -90.05 9.02 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.2 2.51 70.92 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.99 141.51 43.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.97 107.64 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -114.72 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -109.08 132.73 53.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.0 p90 -149.22 165.07 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -171.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -108.55 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -113.53 141.26 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -127.61 88.47 53.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -170.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -54.13 -29.45 55.99 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.681 1.587 . . . . 0.0 111.22 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.18 -29.63 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.57 -39.9 21.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.83 90.58 2.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -55.64 -60.75 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.732 1.622 . . . . 0.0 111.2 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.22 -40.48 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.3 m -58.88 -48.85 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.245 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 -42.47 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.95 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.08 -49.69 73.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.62 -44.96 96.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.75 -50.16 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.77 -43.54 98.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.55 -32.74 74.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.33 -7.45 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.86 20.19 66.07 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.49 -50.9 56.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 111.243 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -71.56 -22.66 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -69.95 101.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.18 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.26 -3.93 47.8 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.11 146.62 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.2 p -120.64 160.39 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.98 172.3 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 168.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -142.76 -24.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -139.94 79.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.272 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.3 t -89.78 129.19 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mt -127.14 91.09 47.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.222 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.25 130.06 38.15 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.722 1.614 . . . . 0.0 111.185 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.73 -6.95 70.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -129.79 -87.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -160.08 134.02 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 p -99.97 132.26 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -112.69 128.66 56.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.227 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.58 -174.89 17.24 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.53 33.41 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -122.96 153.18 63.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.23 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.32 -24.1 8.19 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.734 1.623 . . . . 0.0 111.191 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.91 -0.0 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 31.35 56.72 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.96 4.69 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.33 4.99 85.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -124.23 130.04 51.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.194 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.78 157.74 51.78 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.95 0.0 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.67 -53.04 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.91 18.21 80.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -100.1 159.97 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.7 m -110.52 119.77 40.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.8 mt -107.55 128.53 25.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.12 144.67 38.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.174 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.18 121.02 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -108.8 138.68 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -12.63 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -110.09 150.03 29.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -100.0 -34.26 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 5.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -80.09 150.03 70.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.29 161.65 45.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.603 . . . . 0.0 111.083 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -107.51 115.59 30.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.189 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -112.47 140.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HD1' ' HA ' ' A' ' 112' ' ' ASP . 55.7 m80 -115.6 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.9 m -131.12 178.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.7 m -44.84 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.38 58.91 1.79 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 149.47 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.291 . . . . 0.0 111.232 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.63 121.63 29.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.162 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' HG22 ' A' ' 117' ' ' VAL . 96.2 p -135.04 160.12 39.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.6 mmm -97.0 143.66 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.27 138.17 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -152.64 171.32 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.75 36.13 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.71 -170.47 21.59 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -72.98 130.07 39.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 60.33 41.62 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.9 p -130.0 2.85 4.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 139.03 37.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.3 p -112.41 -176.7 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.21 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.0 -5.4 55.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.242 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.85 146.81 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -145.33 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -168.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.85 138.35 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.239 173.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.6 116.53 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 165.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.22 131.12 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -166.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -97.67 -38.18 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.234 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -135.52 159.84 70.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.1 Cg_exo -49.7 127.15 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.734 1.622 . . . . 0.0 111.218 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -132.41 89.98 35.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.266 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -52.91 -30.02 46.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.731 1.621 . . . . 0.0 111.182 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -56.81 -39.99 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -99.1 -19.2 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HD1' ' A' ' 82' ' ' HIS . 10.3 t70 -61.34 119.54 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.91 4.59 87.01 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.35 -50.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -101.94 154.89 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -76.37 109.92 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 88' ' ' SER . 91.6 t -79.04 137.31 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -131.97 -20.46 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -142.81 165.39 26.89 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -145.57 127.69 15.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.0 t -71.71 132.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.5 p -118.02 -28.47 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -147.45 141.28 25.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.214 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.79 10.76 59.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 11.2 tpt -46.62 -40.08 12.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.204 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.44 -49.65 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.163 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -40.44 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.66 -50.0 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -67.7 -36.42 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.5 p -95.06 20.75 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.209 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.3 ttm -57.48 141.21 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.98 149.79 21.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.484 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 61.2 t30 -65.06 128.21 34.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 15.87 65.92 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -43.76 131.23 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.03 127.82 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.1 mtt -73.39 146.38 45.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -104.12 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.234 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -159.19 129.97 5.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.42 130.05 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.18 152.13 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.49 154.07 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 170.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.06 126.51 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -170.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -96.67 109.86 22.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -96.65 151.61 38.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 1 C--O 1.0 -11.404 0 C-N-CA 121.649 1.566 . . . . 0.0 111.201 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.346 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -130.14 174.09 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.9 164.41 29.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.5 164.02 29.35 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -142.78 129.12 19.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.7 mt -114.17 115.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 tp -90.92 123.86 34.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.7 mmm -90.0 156.53 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -60.28 -25.54 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -87.4 4.89 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.43 8.03 66.53 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.01 136.04 37.66 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.42 96.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.69 113.17 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -115.72 130.14 56.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.242 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -141.07 159.19 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -100.85 158.46 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.59 140.15 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -121.9 81.08 42.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.268 -169.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.21 -6.98 20.16 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.65 1.567 . . . . 0.0 111.157 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -68.13 -29.93 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.12 -27.2 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.4 72.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.96 -24.21 39.81 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.64 1.56 . . . . 0.0 111.161 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.71 -48.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -65.01 -43.85 91.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -39.76 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -67.7 -37.22 81.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -56.98 -52.7 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.65 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.97 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.11 -43.99 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.75 90.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -82.63 -0.55 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.85 -4.58 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 17.16 53.54 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 173.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -80.07 -35.12 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.157 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.13 -9.97 29.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -77.82 79.79 4.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 29.75 0.77 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 153.89 42.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.4 m -117.63 119.94 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.1 101.17 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.42 -13.09 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.39 87.07 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.1 t -108.67 111.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 76.1 mt -121.37 105.72 38.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.42 128.57 29.8 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.3 -22.77 39.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -108.7 -102.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.94 160.09 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -176.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.0 m -110.44 113.88 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -103.59 127.1 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.37 -178.55 45.54 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.64 -170.97 39.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 47.8 t -97.86 138.53 21.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 111.269 177.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 86.4 Cg_exo -53.03 -30.5 49.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.651 1.568 . . . . 0.0 111.226 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.86 5.02 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.65 19.98 77.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.85 -30.06 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.226 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.54 -12.3 68.99 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -129.97 131.34 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.94 117.02 0.94 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -129.16 60.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 111.161 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.44 154.04 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.89 40.97 2.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -160.02 176.17 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.8 m -129.99 127.98 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.18 121.29 27.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.36 145.08 47.28 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.663 1.576 . . . . 0.0 111.164 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.5 t -67.98 126.93 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.71 109.93 10.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.0 p -128.05 -9.98 5.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.265 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.18 -2.3 40.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -109.89 -168.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -49.39 142.77 10.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -51.54 139.03 47.86 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.745 1.63 . . . . 0.0 111.198 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -110.04 77.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.74 140.02 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -99.45 80.11 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.8 m -117.09 179.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.6 m -48.96 112.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.96 -31.13 7.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.54 138.93 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.4 ttp -122.36 124.34 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -126.52 144.44 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -167.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.0 tpp -90.09 129.86 36.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.06 142.17 50.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -103.79 120.06 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 58.9 ttp180 -79.97 67.97 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.59 179.66 28.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.06 121.02 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 53.52 46.91 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.5 m -141.67 72.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.55 137.15 49.93 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.2 p -98.12 -160.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.19 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.12 -11.95 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.05 130.92 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -135.38 168.87 18.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.13 152.59 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.22 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.3 mt -108.92 133.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.263 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -88.73 129.72 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -170.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.68 -47.96 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -137.5 158.9 71.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.256 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 68.7 Cg_exo -47.9 124.57 10.17 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.674 1.583 . . . . 0.0 111.221 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -119.3 94.89 48.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.244 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -55.85 -30.85 78.71 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -80.02 -9.9 59.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.25 -21.44 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -59.91 106.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.11 -5.08 52.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.44 -46.96 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.8 177.19 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.6 m -108.54 112.31 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.33 128.16 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 172.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -128.88 -15.68 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.03 178.22 22.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -158.13 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 111.221 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.2 130.45 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.2 p -113.33 -20.91 11.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -146.35 140.05 26.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 174.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.13 18.93 41.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.3 tpt -54.78 -41.53 70.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.76 -49.85 74.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.62 -50.08 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.96 -47.53 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -69.99 -19.95 63.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.7 p -102.79 17.77 23.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.247 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.7 mtt -64.03 159.88 19.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.35 160.17 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -65.32 110.07 2.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.39 9.65 38.06 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -63.87 129.04 38.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.3 139.95 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.5 mtt -73.4 154.96 39.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -114.08 -48.65 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -149.9 117.04 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.06 122.74 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -137.57 142.48 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.2 t -124.1 137.58 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.56 154.38 48.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.256 -174.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.5 80.72 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.34 90.07 33.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 1 C--O 0.999 -11.452 0 C-N-CA 121.712 1.608 . . . . 0.0 111.204 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -129.5 152.13 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -134.94 173.51 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 173.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.25 179.29 40.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -151.14 148.44 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 111.244 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.16 103.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 53.2 tp -80.59 120.36 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 174.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mmm -90.02 145.22 25.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.62 -27.05 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.63 18.63 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.01 60.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 167.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.77 54.66 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -161.39 110.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.204 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.51 114.23 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.68 131.08 45.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -140.2 159.75 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -172.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -105.95 160.2 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.49 154.31 32.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -130.06 82.82 65.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.82 -32.94 79.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.654 1.569 . . . . 0.0 111.186 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.12 -31.96 71.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -78.27 -40.04 38.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.52 85.15 6.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -54.62 -59.56 0.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.675 1.583 . . . . 0.0 111.155 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.84 -41.93 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -47.91 83.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.74 -46.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -50.15 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.253 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.41 -44.85 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.05 -47.05 78.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.235 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.88 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.55 -42.61 88.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.22 -50.75 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -45.3 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -80.47 -3.53 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -99.94 5.19 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 19.79 77.51 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.1 -56.03 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -68.39 -24.97 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.52 109.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -5.76 33.03 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -89.99 160.01 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.4 p -119.8 166.09 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.2 99.92 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -80.18 -15.39 57.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.19 80.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.52 124.66 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mt -130.84 88.45 46.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.24 136.74 61.78 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.697 1.598 . . . . 0.0 111.253 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.46 83.79 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.71 -111.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.33 123.16 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -94.9 154.8 17.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -134.98 137.58 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.1 26.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 113.9 22.79 5.2 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 99.3 m -119.03 133.66 23.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 73.9 Cg_exo -56.61 100.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.73 1.62 . . . . 0.0 111.15 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 52.88 29.95 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.4 32.72 84.47 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -86.58 -13.57 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.187 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.91 -61.1 4.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.5 m -70.16 84.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 111.186 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.48 177.53 54.09 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -129.69 60.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.76 91.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.05 80.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.9 137.63 54.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -140.69 107.97 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.9 pt -130.03 159.41 70.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.35 157.09 25.75 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.612 . . . . 0.0 111.204 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.04 110.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.05 140.03 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.4 p -121.92 -13.1 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.3 m-20 -109.97 150.05 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.269 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.7 m-80 -99.37 -23.45 15.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 5.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -100.03 150.13 36.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -171.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.17 155.68 18.71 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.716 1.61 . . . . 0.0 111.252 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.34 67.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.202 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -87.32 147.48 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -98.85 75.9 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.87 -175.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.5 m -52.58 111.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.48 -10.68 65.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.58 144.96 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.5 mtp -126.19 122.17 34.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.201 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -126.71 166.18 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.5 ttm -109.78 134.71 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.04 127.75 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -135.32 155.05 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.224 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -130.0 9.93 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.62 -131.67 4.27 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.27 138.09 36.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 58.25 54.96 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.3 p -132.16 -10.06 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.0 154.95 49.34 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.8 p -151.71 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.5 p -134.71 -2.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -74.49 120.44 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -131.28 165.74 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.211 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -115.64 153.45 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 69.5 mt -125.39 112.36 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 162.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -80.68 125.65 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -91.57 -48.74 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -119.91 146.89 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -52.72 137.88 59.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.245 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -129.89 97.41 23.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -57.16 -32.18 92.68 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.659 1.572 . . . . 0.0 111.202 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -69.76 -19.0 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -171.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.32 -4.45 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -63.65 107.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.02 -4.94 68.29 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.61 -46.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.186 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.27 170.87 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.5 m -94.34 108.68 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.27 129.92 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -126.47 -15.94 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -155.27 -176.02 26.98 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -159.89 127.74 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.186 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.32 134.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -116.45 -21.98 8.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.4 t -154.47 140.25 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.256 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.83 6.97 57.91 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.9 -28.66 57.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 111.198 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.8 -30.14 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.201 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.04 -39.59 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.68 -43.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.97 -40.01 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.0 p -105.73 15.08 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.4 ttm -70.02 135.57 49.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.67 140.88 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -59.48 109.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 172.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.79 19.96 41.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.03 134.0 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.7 t -85.57 130.12 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.8 mtm -81.27 99.99 8.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.189 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.74 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . 80.5 tt0 -150.08 110.17 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.87 117.39 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -129.79 149.21 51.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.22 141.9 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -145.57 164.88 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.43 140.34 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -159.89 79.87 2.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.258 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.725 1.617 . . . . 0.0 111.163 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -101.46 135.3 43.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.18 164.63 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 142' ' ' VAL . . . -158.05 172.73 35.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -158.3 159.95 36.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 tt -144.17 134.17 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.42 140.01 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.4 mtp -93.83 161.08 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -70.85 -10.81 60.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -85.52 -0.05 53.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.12 66.47 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 152.35 39.58 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.97 122.49 26.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.71 117.12 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -111.16 129.98 55.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -138.39 157.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 -171.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -103.18 155.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.04 152.62 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.28 79.16 73.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.92 -31.65 74.56 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.658 1.572 . . . . 0.0 111.208 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.72 -30.58 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.82 -41.67 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB1' ' HB ' ' A' ' 27' ' ' THR . . . -143.54 85.22 9.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.14 -59.76 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.655 1.57 . . . . 0.0 111.164 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -72.31 -37.84 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.407 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.1 m -58.54 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.84 -42.53 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.35 69.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.251 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.3 -45.22 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.8 -43.65 90.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.21 -40.09 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -47.51 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.8 -48.89 78.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.33 95.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -66.87 -29.9 69.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -81.39 -5.01 57.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.06 24.58 71.23 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.64 -42.28 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 43' ' ' LEU . 98.8 m-85 -83.37 -3.49 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -173.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.93 101.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.38 -5.04 29.84 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' TYR . 33.4 mt -80.06 170.86 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.17 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -128.2 169.61 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.52 149.51 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.05 -42.2 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -174.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -154.77 86.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.184 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.38 129.27 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.63 95.07 43.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.06 118.72 5.29 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.161 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.41 -13.1 56.96 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -134.68 -167.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.224 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.97 139.09 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -121.08 139.67 53.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -107.88 129.97 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.2 173.84 27.2 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.58 36.13 1.95 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m -119.26 146.41 40.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 111.28 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.91 -21.25 11.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.18 0.02 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 25.84 74.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -96.82 1.91 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.22 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.19 78.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -126.22 119.96 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.13 161.13 50.49 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -129.99 20.36 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 111.153 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.43 -50.48 31.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.86 -7.81 73.64 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -75.26 155.34 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -121.43 118.33 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.206 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.41 128.26 28.65 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 95' ' ' ASP . 89.2 Cg_endo -78.3 153.02 27.5 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.754 1.636 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.6 t -75.13 111.04 9.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -117.13 50.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.2 p -94.1 1.25 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -100.1 20.0 15.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -99.65 -120.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.38 151.95 78.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.214 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.52 146.19 34.57 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.758 1.639 . . . . 0.0 111.228 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -141.95 154.96 45.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.54 126.9 21.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -84.81 76.36 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.9 m -111.75 -172.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.4 m -53.12 117.62 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -19.95 49.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.79 141.62 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -171.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.0 mtp -125.58 126.04 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.4 p -136.96 144.5 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.91 143.25 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.95 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.426 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 33.4 p80 -157.61 178.19 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 169.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -130.03 -0.37 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.05 -165.49 38.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -70.02 121.82 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.509 ' H ' ' HA ' ' A' ' 72' ' ' PRO . 66.1 m-20 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.4 p -128.82 0.77 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -73.54 142.33 31.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -171.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.4 p -113.08 -171.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.97 -8.61 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.29 146.28 49.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -137.36 157.52 46.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.45 133.26 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.5 mt -112.04 121.43 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.8 t -92.97 135.21 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -98.96 -30.05 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.05 136.64 26.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -171.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 80.5 Cg_exo -46.48 118.48 2.57 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.703 1.602 . . . . 0.0 111.16 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.4 90.63 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -56.35 -25.84 59.15 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.656 1.571 . . . . 0.0 111.243 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -62.67 -22.74 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.33 -17.3 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.37 128.37 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.74 -8.52 79.18 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -89.9 -42.45 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.09 157.04 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.4 m -90.07 108.56 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.03 132.67 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -127.46 -18.94 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -165.91 -175.3 36.23 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -158.74 130.76 6.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.226 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.26 132.18 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.9 p -115.57 -27.06 7.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.7 m -138.2 148.11 44.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.63 55.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.59 -28.97 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.222 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.61 -33.02 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.85 -45.21 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.51 -44.81 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -77.6 -9.98 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.8 p -113.19 16.0 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.0 mtt -64.96 154.99 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.91 154.28 44.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -67.01 110.33 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 5.91 33.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.81 150.7 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.52 133.18 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 61.7 mtm -88.11 115.22 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 -51.49 64.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -165.75 159.96 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.53 139.93 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.254 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -145.11 150.31 36.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.7 m -128.75 164.42 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.59 153.84 23.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.99 120.01 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -80.22 119.33 76.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.648 1.565 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -139.99 148.38 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -130.41 171.66 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.13 159.31 28.05 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -145.33 129.09 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.3 mt -113.09 119.44 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.98 129.84 44.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.6 mmt -98.16 152.61 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 -175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.61 -19.59 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.07 1.52 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 -0.71 59.96 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.64 142.06 43.25 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.13 105.88 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.212 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.81 108.67 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.243 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -107.74 131.9 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 31.6 p90 -146.92 164.34 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -170.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.35 147.26 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.39 149.97 24.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -130.48 83.43 62.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.27 -29.77 48.61 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.753 1.635 . . . . 0.0 111.18 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.44 -28.13 67.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -83.38 -40.84 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.54 88.1 4.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -54.95 -59.8 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.686 1.59 . . . . 0.0 111.218 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.59 -40.11 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.2 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -61.15 -45.48 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.59 -42.46 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.37 85.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -67.16 -37.37 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.46 -51.28 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.12 -46.77 87.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.63 -47.06 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.248 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.33 -48.45 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.07 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.93 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.36 -5.47 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.4 21.01 61.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.49 -55.71 21.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 0.0 111.115 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -73.69 -26.89 60.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -70.02 101.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.86 4.68 56.77 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD21 ' HA2' ' A' ' 57' ' ' GLY . 16.1 tp -72.87 145.31 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -119.58 146.52 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.202 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -90.31 154.57 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 172.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -131.58 -14.91 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 88.0 mmt-85 -139.92 76.63 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.2 t -89.95 124.64 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.188 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.12 92.93 44.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.202 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.02 133.0 55.05 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.743 1.628 . . . . 0.0 111.218 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.25 84.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.1 -84.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.3 140.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.2 p -108.4 134.4 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 47' ' ' ARG . 63.1 tt0 -114.48 130.54 56.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.01 -178.42 16.35 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 137.13 15.53 0.79 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.8 151.91 44.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.29 -22.73 5.61 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.653 1.569 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -123.77 -20.08 5.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.49 21.86 42.6 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -94.52 5.11 52.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.0 -7.33 62.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -96.27 122.28 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.198 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.96 142.52 45.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.23 -70.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.78 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.13 19.41 78.57 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -69.03 149.97 48.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.715 0.293 . . . . 0.0 111.244 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -90.96 124.44 35.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.73 128.84 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.92 152.89 25.18 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.614 1.543 . . . . 0.0 111.288 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.29 123.47 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -118.44 134.08 55.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.6 p -120.76 -11.22 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -110.02 148.95 30.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -98.22 -30.96 12.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 5.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -88.42 150.09 45.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.8 172.0 17.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.709 1.606 . . . . 0.0 111.195 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -117.18 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -174.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -137.59 129.36 28.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -103.36 82.68 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.2 m -125.46 179.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.211 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.3 m -45.76 111.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.87 56.79 2.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.03 146.39 50.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.246 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.65 122.23 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.2 p -135.99 157.05 47.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.5 mmm -95.03 140.04 30.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 176.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.04 133.03 36.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -156.01 179.24 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.82 32.64 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.46 -173.31 21.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -69.98 121.21 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.18 39.58 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.5 p -129.84 3.33 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.94 54.2 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.2 p -121.24 -169.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.3 -9.04 59.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.212 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.78 149.98 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -148.26 159.68 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.23 139.08 48.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.0 mt -116.16 116.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 162.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.1 t -86.01 130.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.215 -167.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -93.98 -37.93 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -141.66 157.84 64.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 173.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 47.0 Cg_exo -45.25 121.05 3.45 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.725 1.617 . . . . 0.0 111.231 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -129.91 97.14 24.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.97 -30.06 76.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.676 1.584 . . . . 0.0 111.205 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.67 -36.87 72.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.96 -22.89 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.8 120.03 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.84 5.15 84.2 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.31 -40.82 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -112.31 169.98 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.1 m -96.48 109.92 22.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.84 133.4 30.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -122.19 -14.72 7.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.09 168.31 36.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -141.72 142.81 33.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.213 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.465 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 87.3 t -77.54 133.63 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -116.08 -24.73 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t -145.01 139.51 27.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.26 53.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.4 mtp -61.13 -35.04 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.193 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.05 -40.79 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.54 -51.96 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -55.66 -40.07 71.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 41.4 p -106.77 40.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -56.0 140.11 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.18 149.93 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 55.9 t-20 -66.68 115.61 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.49 23.28 58.72 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -44.8 132.83 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.43 131.56 62.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.16 147.94 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.12 -48.52 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -157.19 130.0 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.24 129.96 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.34 149.11 45.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.3 138.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -125.16 108.7 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -171.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.88 129.94 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -111.4 154.95 43.54 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 1 C--O 1.0 -11.394 0 C-N-CA 121.743 1.628 . . . . 0.0 111.195 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 47.8 mttm -129.94 155.91 45.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 140.46 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.17 179.52 19.36 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.22 150.01 31.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -116.35 113.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 172.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -89.97 122.21 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 169.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mmm -90.14 151.38 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -59.97 -26.38 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.232 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -92.82 15.07 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.94 74.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 170.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.13 151.64 49.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.03 119.98 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.68 102.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -91.32 138.31 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -144.55 158.92 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -172.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.42 136.68 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 3' ' ' LYS . 84.3 mt -104.52 144.63 31.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.188 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -122.78 95.04 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.03 -30.18 58.36 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.663 1.575 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.7 -36.5 81.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.18 -43.47 67.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.69 93.22 1.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.8 -47.42 26.77 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.663 1.575 . . . . 0.0 111.247 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.15 -47.32 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.3 m -62.83 -44.72 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.25 -45.99 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.27 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.91 85.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.202 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.64 -43.89 88.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.3 -48.59 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.94 -49.96 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.243 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.02 -53.98 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -58.59 -49.73 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.52 83.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -79.43 -3.97 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.63 -0.01 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 172.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.59 20.58 63.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.83 -53.56 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.99 -22.42 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 109.89 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.26 -8.13 30.82 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.83 160.01 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 HG22 ' A' ' 136' ' ' VAL . 34.3 p -120.18 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -170.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.02 96.98 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 167.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -79.81 -14.79 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -165.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -137.72 80.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.16 122.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.7 mt -131.85 86.55 47.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.95 137.63 73.45 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.755 1.637 . . . . 0.0 111.222 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.98 -10.54 70.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.79 -112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.205 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.03 126.7 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -91.5 154.96 18.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.5 137.65 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.3 -175.32 27.13 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 22.02 6.47 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 70.9 m -116.45 132.29 23.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 -174.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 70.1 Cg_exo -56.93 106.43 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.712 1.608 . . . . 0.0 111.158 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 51.18 30.02 5.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.95 37.95 94.89 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.92 7.27 45.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.234 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.25 -76.78 1.91 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -84.19 123.36 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.67 -161.68 26.94 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -136.74 58.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -40.0 74.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 10.89 75.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.91 122.36 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -134.05 113.06 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 pt -129.29 158.0 74.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.43 155.23 36.39 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.737 1.625 . . . . 0.0 111.226 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.1 t -51.54 122.44 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 174.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -95.31 141.32 29.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.16 -15.86 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.6 m-20 -108.48 149.83 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 69.6 m-80 -99.82 -30.2 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 6.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.9 m-20 -91.05 150.55 41.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -174.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 67.7 Cg_exo -54.96 155.07 19.48 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.714 1.609 . . . . 0.0 111.16 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' HB3' ' H ' ' A' ' 117' ' ' VAL . 92.1 m-70 -120.1 70.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.179 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -90.02 133.8 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -83.76 71.75 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -82.84 -178.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -56.62 118.39 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.04 -11.29 69.58 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.67 143.77 29.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.7 mtp -125.89 117.87 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 96.2 p -122.24 153.12 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -175.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.0 tpp -90.25 134.28 34.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.78 122.53 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -134.84 147.67 49.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -120.0 -9.21 9.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.6 -136.64 4.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -82.76 130.53 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 56.41 49.68 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -121.68 -5.05 9.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.44 156.24 48.73 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.6 p -152.36 -128.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.97 -1.91 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -75.31 124.13 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -132.36 161.48 33.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -174.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -110.67 153.79 24.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.1 mt -125.98 111.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 163.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.11 118.5 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -80.05 -58.12 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -112.42 144.38 30.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -54.92 136.99 74.77 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.723 1.615 . . . . 0.0 111.227 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -126.95 90.14 50.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -56.34 -31.34 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.721 1.614 . . . . 0.0 111.218 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -76.24 -9.95 59.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.252 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -98.54 -1.51 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -62.83 108.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.226 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.51 -5.02 70.19 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.1 t -76.62 -49.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -113.37 171.49 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.7 m -94.64 93.82 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 80' ' ' HIS . 96.4 t -62.82 120.67 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 171.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.71 -14.61 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.26 -177.36 23.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -159.13 129.88 6.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.18 134.32 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.9 p -111.45 -23.17 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -158.44 130.95 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.51 19.2 4.64 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.78 -30.63 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -64.52 -44.38 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.36 -38.15 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.22 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.1 -57.11 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -66.07 -23.8 66.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -173.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.1 p -100.16 7.09 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -64.99 139.24 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 135' ' ' ASP . 87.7 tttt -82.29 139.79 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -60.07 118.75 6.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.214 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.68 15.12 57.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 39.9 t0 -56.83 135.06 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.209 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 44' ' ' THR . 59.5 t -92.14 133.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -172.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.9 mtm -83.89 116.57 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.85 -41.9 20.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.47 113.01 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.72 115.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.22 148.57 51.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.01 142.09 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -143.3 170.37 15.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -80.22 137.08 36.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.1 70.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 -176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.392 0 C-N-CA 121.662 1.575 . . . . 0.0 111.144 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.27 139.17 45.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -152.37 -179.96 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.13 -173.83 40.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -154.33 158.63 40.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.36 111.5 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.9 tp -85.58 114.99 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 99.4 mmm -82.08 156.51 24.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.06 -26.39 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -89.98 0.27 57.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.53 69.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.87 65.01 4.02 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -69.95 128.41 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -120.0 154.42 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -123.58 139.94 53.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -141.16 164.11 31.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.15 156.68 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.61 159.04 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 -174.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -129.81 78.31 75.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.6 -17.6 57.32 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.713 1.608 . . . . 0.0 111.13 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.16 -23.38 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -98.1 -32.95 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.7 79.61 13.45 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -53.66 -52.4 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.64 1.56 . . . . 0.0 111.202 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.16 -49.94 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -173.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.2 m -65.0 -42.69 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -173.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.07 -44.37 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.98 78.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.269 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.45 -32.64 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.72 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 173.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.17 -46.47 85.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.29 -43.76 92.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.93 -49.41 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.8 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.54 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -89.9 5.83 44.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.23 71.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -75.13 -10.42 59.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -111.52 9.3 21.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.263 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -98.36 119.53 37.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.66 5.98 73.85 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.26 166.56 18.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -122.91 165.06 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -86.4 115.35 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -47.57 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -158.6 120.12 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.16 120.3 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.5 mt -116.08 97.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.78 126.6 23.01 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.702 1.602 . . . . 0.0 111.143 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.72 10.9 71.98 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.68 -86.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.177 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 m -146.3 155.72 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -117.05 110.01 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 170.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -97.87 126.89 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.09 50.47 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.15 -129.45 4.79 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 p -162.09 162.97 19.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.06 -31.2 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.723 1.615 . . . . 0.0 111.218 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -76.53 -26.94 55.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.02 14.83 81.45 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -101.98 -4.14 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.59 70.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -115.88 120.97 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.207 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.45 144.44 48.79 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -150.36 40.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 0.0 111.154 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.92 -26.75 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 -5.06 65.53 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -83.52 68.81 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.8 m -82.79 111.88 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 pt -122.76 157.66 59.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -170.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.16 163.09 39.02 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.644 1.562 . . . . 0.0 111.171 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 94.0 m -95.05 145.75 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -100.83 -7.0 24.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -172.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.1 p -79.07 -7.68 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -73.84 -26.85 60.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -117.84 -18.65 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -146.91 77.95 10.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.307 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -52.07 139.72 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.621 1.547 . . . . 0.0 111.22 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -116.66 140.58 49.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -90.06 147.09 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -113.67 105.65 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.85 179.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.267 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.3 m -54.87 118.06 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.07 -22.11 28.04 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 143.52 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.433 ' HG2' HG12 ' A' ' 103' ' ' ILE . 96.0 mtp -115.39 115.13 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.203 173.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -124.45 132.76 53.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.76 144.48 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.274 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.28 154.99 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.189 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -141.24 169.76 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -111.49 29.92 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.34 -175.7 21.01 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.18 131.48 46.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.38 40.81 30.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.245 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 96' ' ' THR . 39.1 m -135.74 49.29 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.96 142.32 25.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.1 p -108.34 -169.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 -176.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.7 p -82.8 -4.2 57.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -89.96 148.55 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -147.52 172.47 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -144.91 150.03 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.253 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 87' ' ' MET . 77.5 mt -107.08 120.86 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.5 t -80.3 132.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -113.23 -26.71 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.271 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -122.5 129.26 25.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.69 131.19 36.69 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.677 1.585 . . . . 0.0 111.201 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -134.67 99.95 12.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.7 -30.93 77.83 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.673 1.582 . . . . 0.0 111.229 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -69.91 -18.83 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.81 -14.84 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -62.36 123.65 18.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.03 82.34 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -94.57 -50.87 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.182 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -109.59 149.51 29.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.6 m -85.25 116.25 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.03 130.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -120.34 -13.06 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -171.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.9 -167.44 33.51 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -159.12 149.95 19.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.1 t -76.95 130.56 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.7 p -113.26 -21.06 11.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 -172.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -147.6 135.54 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.26 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.1 ttp -55.29 -40.02 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.72 -43.21 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.61 -47.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.68 -37.13 77.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.6 p -94.55 16.02 16.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -174.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.6 mtt -66.72 159.93 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -99.92 161.74 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.05 110.3 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.25 14.15 56.33 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -57.72 133.11 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.188 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.7 t -91.34 127.82 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 -168.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.7 mtm -87.05 137.16 32.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 170.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.94 -56.67 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.216 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.68 142.2 36.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.75 119.21 47.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.14 139.89 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.38 133.52 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.0 164.89 34.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.42 138.14 31.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.59 130.07 24.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 1 C--O 1.0 -11.412 0 C-N-CA 121.696 1.597 . . . . 0.0 111.193 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.5 137.1 49.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -137.9 177.22 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.43 -177.46 41.19 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -153.72 157.64 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.8 mt -118.24 110.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.95 115.23 22.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 174.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.0 mmm -82.66 155.41 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.95 -29.76 68.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -87.58 1.99 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.58 7.62 71.67 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.02 63.4 4.4 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -67.4 129.8 41.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.205 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 pt -115.97 153.12 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.07 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -145.96 161.6 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.63 162.32 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt -120.56 157.46 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -127.57 75.6 77.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.97 -19.39 58.0 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.642 1.561 . . . . 0.0 111.189 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.92 -22.8 59.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.229 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -103.67 -31.97 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.7 72.17 36.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.81 -51.18 10.93 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.666 1.578 . . . . 0.0 111.22 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.79 -50.83 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -171.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -42.0 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.85 -45.15 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.68 87.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -63.35 -45.86 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -57.3 -47.99 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.62 -48.47 79.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.27 -50.02 65.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.54 -49.68 72.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.34 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -79.81 0.87 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -106.54 4.26 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.266 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.42 17.17 69.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 172.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.63 -46.27 87.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.0 m-85 -84.24 -7.13 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -70.01 110.05 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.24 -8.9 49.43 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 40' ' ' TYR . 24.7 mt -82.29 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.177 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.4 p -121.23 168.83 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -171.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 73.5 m-85 -94.01 109.78 21.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -69.34 -41.15 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -139.96 91.36 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.58 112.5 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 54.1 mt -123.11 96.85 44.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 58.6 Cg_endo -68.37 139.81 46.57 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.667 1.578 . . . . 0.0 111.126 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.16 4.95 86.19 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -146.16 -96.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.238 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.27 128.82 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -98.17 106.22 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -98.6 132.54 43.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -75.34 167.48 54.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.04 -137.39 9.53 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.24 164.26 18.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.11 -30.85 72.61 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.704 1.602 . . . . 0.0 111.205 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -76.34 -23.61 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.86 80.55 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.04 -10.62 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.52 67.68 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -112.95 112.71 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.703 0.287 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.07 146.87 45.28 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.09 42.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.207 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.94 55.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 -5.24 57.58 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.83 67.24 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -76.93 120.15 21.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.12 155.13 55.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.29 158.27 52.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.718 1.612 . . . . 0.0 111.171 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.0 m -91.76 139.03 31.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.34 -10.69 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.7 p -70.76 -16.26 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.191 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -68.18 -27.69 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -103.85 -30.64 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.29 90.98 3.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -53.18 135.71 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.715 1.61 . . . . 0.0 111.171 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -105.5 138.68 41.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.05 148.77 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -110.07 109.53 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.87 177.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -57.08 121.04 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 -22.56 32.74 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.28 143.23 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.6 ttm -116.59 117.27 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 44.1 t -125.39 135.32 52.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -167.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.0 tpp -76.52 133.17 39.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.39 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.257 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -141.57 169.85 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -112.81 30.16 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.58 -178.2 19.28 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.72 132.43 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.45 36.94 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 96' ' ' THR . 36.8 m -133.09 48.7 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.27 142.75 26.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -109.36 -169.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.135 -177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.37 -15.2 58.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -75.77 143.57 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.69 169.9 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.57 148.84 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.8 mt -104.96 121.15 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.43 132.8 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.53 -32.37 6.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -115.4 128.02 26.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.6 140.42 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.635 1.556 . . . . 0.0 111.289 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -129.34 89.69 46.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -56.98 -31.54 90.19 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.757 1.638 . . . . 0.0 111.225 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -77.38 -9.95 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.23 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.63 2.85 52.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.234 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.31 108.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.72 2.73 81.41 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -87.52 -55.0 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.75 151.06 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.3 m -87.0 108.92 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.5 t -74.04 127.03 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 170.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -126.76 -14.69 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -171.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -152.66 -176.41 25.21 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -159.89 129.92 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.49 129.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 82.7 p -113.75 -20.71 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -148.46 136.12 20.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.04 60.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -56.18 -37.78 70.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.703 0.287 . . . . 0.0 111.111 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.238 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.88 -42.31 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.47 -46.97 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.54 -29.95 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.6 p -96.64 8.11 44.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.215 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.58 156.08 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.54 161.2 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.233 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.93 115.85 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.09 9.5 60.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -59.98 130.17 45.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 111.197 175.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.2 t -90.47 135.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -168.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.9 mtm -88.34 124.65 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -79.52 -43.27 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.84 149.2 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.17 122.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -123.73 140.19 53.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -172.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.5 t -128.13 139.54 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -148.98 168.39 23.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -100.59 147.26 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.25 133.76 10.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 1 C--O 1.0 -11.424 0 C-N-CA 121.676 1.584 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.779 0.323 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.62 130.03 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -143.56 134.31 25.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.59 18.68 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -148.53 146.65 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 111.185 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.62 110.11 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -87.39 121.82 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 172.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mmm -90.59 153.82 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.92 -21.61 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -88.69 4.63 46.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.58 4.62 67.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.52 144.95 44.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -128.9 96.39 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.716 0.294 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -94.32 103.63 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.8 128.05 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.2 p90 -144.72 151.11 38.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -107.3 147.74 29.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.9 mt -109.27 158.83 17.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -119.79 82.3 27.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.97 -5.98 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.726 1.617 . . . . 0.0 111.185 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 -16.82 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -107.44 -29.28 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.24 71.31 3.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.23 -31.76 89.94 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.7 1.6 . . . . 0.0 111.128 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.83 -49.17 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -69.86 -36.46 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.253 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.67 -43.88 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.78 94.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -50.63 -63.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.77 -51.85 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.8 -48.66 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.21 -48.22 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.77 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.5 -16.67 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.73 1.62 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.8 70.19 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.99 -56.45 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.729 0.299 . . . . 0.0 111.181 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -68.89 -29.01 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.203 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -57.61 110.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 -22.93 17.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -81.14 168.05 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.0 p -125.31 175.13 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -169.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -98.94 100.15 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.404 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 31.8 p-80 -80.65 -17.64 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -166.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 90.2 mmt-85 -139.61 84.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -94.44 127.22 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -124.92 91.27 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.25 130.82 39.64 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.681 1.588 . . . . 0.0 111.219 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -8.33 67.98 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -129.9 -90.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.212 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.7 133.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -175.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.2 p -102.38 152.81 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -124.25 140.17 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.94 -177.5 34.1 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.84 40.77 9.23 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -119.12 140.68 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.199 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.43 -20.34 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.646 1.564 . . . . 0.0 111.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -101.28 -49.97 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.194 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.99 36.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -107.22 7.12 29.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.01 -22.34 27.74 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.0 p -121.24 -37.47 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.66 -173.74 52.78 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -150.21 42.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.227 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.1 -42.69 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 16.75 80.49 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -75.55 150.01 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.72 0.295 . . . . 0.0 111.238 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 p -127.01 58.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.229 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.59 124.82 89.99 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.212 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.17 149.06 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.688 1.592 . . . . 0.0 111.194 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 87.2 m -102.37 95.02 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.205 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.93 146.81 54.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.2 p -125.02 -9.54 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -106.81 146.57 30.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -84.94 -33.32 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 0.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -169.71 90.26 0.55 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.67 151.22 10.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.686 1.591 . . . . 0.0 111.202 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.07 -171.26 2.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -109.64 151.77 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.81 69.93 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.9 -165.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.8 m -51.23 113.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.252 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.37 -9.61 69.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.08 145.92 34.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.28 116.47 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.233 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 85.2 p -116.65 168.93 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -177.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.9 tpp -114.92 129.84 56.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.31 154.93 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -141.36 166.29 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -120.05 40.02 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -167.99 22.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -69.96 130.0 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 50.54 43.63 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 96' ' ' THR . 38.8 m -139.69 61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.15 152.29 36.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 p -115.6 -163.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.251 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.82 -16.39 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.85 127.04 31.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -134.78 163.82 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -171.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -109.81 153.12 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.7 mt -125.3 109.67 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 158.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.28 134.33 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -100.02 -40.27 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.97 151.3 78.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -49.96 137.23 36.3 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.739 1.626 . . . . 0.0 111.191 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -129.99 98.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.38 -25.51 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.726 1.618 . . . . 0.0 111.215 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.82 -19.55 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.99 110.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.235 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.17 4.79 68.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.81 -50.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -118.47 -179.36 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -109.35 122.72 47.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 84.2 t -80.53 131.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -126.11 -12.43 6.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 -173.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.91 179.04 28.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.33 130.16 7.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 85.3 t -65.06 134.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -116.76 -21.91 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -152.29 145.14 24.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.33 20.4 35.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.51 -33.13 72.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.73 -40.59 95.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.05 -42.42 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.81 -46.45 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.2 p -95.11 14.65 21.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.95 140.94 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -111.2 152.54 26.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.03 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.62 2.91 64.9 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.96 139.43 57.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.36 132.33 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -171.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.3 mtm -81.08 100.66 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.54 -48.91 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -150.12 112.12 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.28 121.48 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -146.97 151.66 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.07 138.98 52.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -136.27 170.12 16.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -96.44 133.71 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -128.96 129.93 23.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 1 C--O 1.0 -11.409 0 C-N-CA 121.701 1.601 . . . . 0.0 111.214 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.766 0.317 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -100.06 125.53 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -136.35 129.91 32.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.69 159.1 14.63 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -140.51 128.35 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.315 . . . . 0.0 111.237 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -113.62 115.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp -90.32 119.94 31.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -86.47 154.9 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.49 -4.34 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -96.85 4.82 51.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.44 6.93 70.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.86 136.41 33.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -116.14 94.78 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.69 111.88 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.6 p90 -147.17 151.92 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -175.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.95 154.0 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -110.01 150.98 27.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.225 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.73 77.87 73.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.88 -15.7 49.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.702 1.601 . . . . 0.0 111.248 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.16 -22.85 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.44 -39.97 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.51 86.07 5.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.3 -48.37 22.12 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.736 1.624 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.95 -49.73 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.0 m -61.86 -43.79 98.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.84 -45.32 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.96 85.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.81 -49.14 78.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.24 -49.3 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.59 -50.6 71.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.3 -49.16 78.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.89 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.91 -17.31 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -84.49 -4.12 58.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.68 61.49 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.08 -58.69 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.169 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 43' ' ' LEU . 63.0 m-85 -69.66 -26.62 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -176.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.41 110.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.263 173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.32 -6.04 36.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.5 mt -88.65 163.44 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 p -123.3 170.05 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 75.0 m-85 -94.57 107.67 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 174.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -73.38 -19.5 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.191 -167.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -159.75 91.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -91.34 119.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.19 91.09 47.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.93 130.08 38.72 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.765 1.643 . . . . 0.0 111.173 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.13 68.69 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 53' ' ' VAL . 16.7 t80 -139.97 -93.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 174.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 52' ' ' PHE . 18.4 m -139.99 155.17 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 173.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -111.92 103.0 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -89.87 139.78 30.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -161.35 178.38 37.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.68 20.99 4.81 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -114.45 140.7 25.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.45 -20.23 12.54 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.672 1.581 . . . . 0.0 111.288 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.84 -20.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.291 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.46 28.91 51.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -104.48 6.81 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.44 -5.14 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -112.48 120.46 41.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.96 174.12 53.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -103.27 29.76 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.253 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.2 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.17 -0.8 88.87 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.07 176.31 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.224 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.4 m -92.28 137.86 32.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.2 pt -119.11 156.58 52.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.37 140.72 19.63 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.683 1.589 . . . . 0.0 111.123 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 70.7 m -128.79 141.26 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -104.61 120.49 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -172.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -100.54 -16.15 17.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.259 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.91 150.93 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -100.11 -20.12 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 3.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.23 125.38 86.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -54.78 156.5 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -120.05 100.31 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.19 -29.43 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -169.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.8 m80 55.67 74.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.08 178.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -55.21 119.57 5.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.9 57.85 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.59 147.74 48.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.7 mtp -120.6 126.78 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -136.36 138.11 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -169.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.3 mtp -89.94 145.47 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.29 134.31 34.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -151.89 169.97 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 175.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.86 37.77 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.75 171.86 12.34 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -70.05 133.83 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.218 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 58.76 30.82 20.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.244 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -153.04 78.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.79 -174.72 16.28 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.0 p -119.93 178.45 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 111.213 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 82.3 m -77.85 -7.29 56.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.34 148.79 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -141.74 176.66 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.3 150.0 24.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.76 127.86 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.19 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.0 t -81.89 129.89 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -92.91 -41.62 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -127.08 150.11 71.22 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.67 127.38 25.2 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.685 1.59 . . . . 0.0 111.228 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -136.25 82.99 33.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.272 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.19 -25.28 63.56 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.678 1.585 . . . . 0.0 111.231 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -64.63 -21.09 66.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.83 -11.59 55.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.58 107.37 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.77 57.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.08 -43.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.245 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.01 174.51 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.2 173.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.6 m -119.54 109.89 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.52 133.24 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 169.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.4 -17.78 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.3 -173.21 29.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -157.86 131.61 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 86.1 t -65.48 133.21 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.201 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.3 p -115.93 -21.85 9.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.5 t -151.41 140.04 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.224 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.28 17.19 47.45 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.1 tpt -58.11 -30.79 66.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.204 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.68 -45.45 92.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.24 -41.86 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.03 -48.4 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.61 -30.18 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -98.51 20.95 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 55.0 mtt -64.88 156.01 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -123.43 159.45 28.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -69.78 102.64 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.1 31.18 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.21 146.69 32.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.83 130.71 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -165.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -85.52 103.87 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -47.9 76.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -150.08 112.12 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.84 132.98 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -161.16 152.35 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.6 t -131.48 137.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.78 166.41 16.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -99.93 80.07 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.02 128.27 91.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 1 C--O 1.0 -11.413 0 C-N-CA 121.724 1.616 . . . . 0.0 111.182 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -145.84 171.34 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -152.52 173.09 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.71 -172.18 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.52 149.88 22.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.52 123.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 tp -92.34 118.28 30.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mmm -89.15 154.24 20.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.23 -19.35 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.213 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -88.32 -1.35 57.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.96 -0.76 64.69 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.41 53.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.61 125.99 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.227 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -119.17 101.39 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.226 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -91.83 135.93 33.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -145.83 152.26 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.209 -173.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.32 160.64 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.06 155.27 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -122.65 77.49 47.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.71 -14.14 32.83 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.786 1.657 . . . . 0.0 111.139 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -90.09 -6.2 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -113.91 -34.76 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.51 71.47 14.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.193 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.05 -30.76 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.714 1.609 . . . . 0.0 111.182 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.08 -17.76 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.229 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -102.87 -44.03 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.9 -40.18 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.01 82.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.253 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -70.06 -37.67 75.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.1 -52.13 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 175.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -57.79 -49.92 74.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.43 -56.98 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.13 -41.83 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.4 56.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.17 -23.9 59.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.45 6.06 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.6 18.65 67.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 166.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.97 -20.77 44.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.252 176.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -100.03 23.9 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.239 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.81 115.73 27.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.3 19.9 47.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.91 145.04 54.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -113.54 143.79 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 49.5 m-85 -81.63 157.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -120.01 -47.71 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -170.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -137.39 89.03 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.07 113.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 84.6 mt -118.12 105.1 47.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.268 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -52.41 123.08 11.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.647 1.565 . . . . 0.0 111.198 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 10.9 64.03 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -139.99 -92.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 111.221 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.23 130.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.213 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.6 p -96.82 74.12 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 102' ' ' PHE . 28.5 tt0 -82.45 125.76 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 -174.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -179.08 -148.77 7.88 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.09 38.09 11.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 52.9 t -108.76 137.27 20.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 92.4 Cg_exo -54.73 -33.32 79.91 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.656 1.571 . . . . 0.0 111.215 -177.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -113.9 -19.75 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -174.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.03 65.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -100.09 4.04 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.71 0.72 83.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -116.01 110.64 19.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.71 110.91 3.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -107.87 15.52 24.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 111.248 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.34 72.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.227 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.11 14.22 59.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -120.05 140.25 51.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.3 m -125.88 138.13 53.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.3 mt -118.62 131.49 24.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -76.65 166.42 27.22 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.726 1.618 . . . . 0.0 111.174 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.6 93.63 7.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -49.93 110.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -103.14 88.34 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -148.04 -147.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.257 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.94 -29.93 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.197 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -50.0 110.48 1.65 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -61.12 -27.6 84.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.684 1.589 . . . . 0.0 111.184 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 55.28 45.2 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -70.66 118.64 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.97 82.77 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.8 m -125.23 -176.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 177.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 m -47.71 116.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.11 -26.98 13.54 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.51 138.41 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 111.222 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.2 ttm -115.55 122.96 47.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.272 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -139.22 144.67 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -167.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.29 155.39 36.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.217 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.9 110.42 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 97' ' ' GLY . 66.0 m-70 -102.97 142.61 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -133.53 49.96 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.95 172.03 13.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -59.42 119.71 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 111.268 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 51.85 30.93 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 96' ' ' THR . 75.5 m -116.34 65.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' HIS . . . -91.82 132.96 11.53 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 173.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -86.83 -170.81 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.5 p -75.56 -9.32 58.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -79.91 150.05 30.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.01 172.95 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.274 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 55' ' ' GLN . 55.1 p90 -148.15 150.59 34.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.176 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.29 133.07 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 173.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.77 130.13 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -93.27 -32.11 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -140.04 152.23 67.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 86.9 Cg_exo -49.56 117.32 2.88 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 121.739 1.626 . . . . 0.0 111.187 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -121.5 101.6 43.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.34 -25.5 65.82 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.682 1.588 . . . . 0.0 111.232 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -82.14 -5.6 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.73 -23.61 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -55.79 112.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.08 5.2 86.12 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.14 -45.2 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 111.198 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -109.09 -170.92 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.5 m -106.98 111.04 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.25 128.54 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -132.05 -14.92 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.71 27.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.25 128.07 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.03 132.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.255 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.2 p -114.91 -22.89 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 t -156.62 140.26 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.87 13.13 57.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.5 tpt -57.7 -29.9 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.232 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.73 -38.65 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.224 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.42 -50.15 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.203 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -75.23 -22.58 57.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 -173.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.3 p -99.21 11.49 38.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -64.44 145.4 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.71 150.14 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -71.16 112.6 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.212 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 117.41 -1.85 18.51 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -58.78 153.69 16.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.0 129.47 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.233 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.6 mtm -83.34 100.0 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -48.8 -46.19 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -168.35 132.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.249 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.88 128.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.187 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.65 140.35 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.75 134.7 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -132.79 149.7 52.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.12 75.14 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.204 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.11 100.06 27.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.667 1.578 . . . . 0.0 111.173 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.52 149.26 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -159.56 153.51 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.38 140.61 11.86 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -172.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -112.85 136.42 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.54 106.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.01 123.51 32.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 171.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.0 mmm -91.44 153.47 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.0 -20.64 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -94.11 12.09 27.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.63 5.09 67.12 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 172.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.16 157.97 53.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -148.77 100.91 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.143 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.11 117.83 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -112.6 125.23 54.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 43.3 p90 -142.9 151.64 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -174.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.08 161.55 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -120.18 154.73 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.77 75.48 64.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.23 -15.14 45.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.719 1.613 . . . . 0.0 111.202 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.73 -25.97 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.06 -19.72 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.13 72.58 22.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.46 -53.93 5.78 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.65 1.567 . . . . 0.0 111.201 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.67 -49.54 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.235 -171.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -58.17 -49.53 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.186 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.44 -43.37 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.2 73.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.71 -40.94 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.261 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -55.03 -49.8 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.23 -49.93 75.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.52 -41.58 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.98 -50.18 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -79.69 -4.08 50.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -103.32 5.46 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 171.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.42 70.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -70.09 -56.27 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.204 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -73.16 -20.43 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -70.17 86.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.25 15.74 3.01 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 170.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.36 166.77 20.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.184 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 m -112.02 150.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.66 106.57 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.56 -39.85 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.258 -172.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -140.06 89.97 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -78.78 107.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.0 mt -130.35 86.46 53.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.87 140.68 42.86 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.618 . . . . 0.0 111.227 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.35 73.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -134.4 -102.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.9 t -140.29 119.7 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 t -93.41 119.15 32.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -96.94 126.09 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.59 165.01 31.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.53 29.14 2.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.6 m -97.38 140.21 21.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.76 -15.41 13.49 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.663 1.575 . . . . 0.0 111.205 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.45 -5.73 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.31 19.24 79.87 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -99.99 -1.8 36.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 111.177 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.35 3.02 82.24 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -127.15 162.44 26.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 111.187 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.75 162.54 13.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -144.36 -162.53 1.5 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.746 0.308 . . . . 0.0 111.19 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.69 15.84 22.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.21 5.07 76.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -166.33 174.91 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -121.91 160.05 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 pt -127.14 154.5 76.76 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.49 154.4 68.85 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.721 1.614 . . . . 0.0 111.155 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.43 137.64 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -126.73 64.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.6 p -115.69 -19.92 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.98 -41.44 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.72 41.81 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -122.34 100.19 42.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.53 -25.3 75.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.726 1.618 . . . . 0.0 111.158 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.49 138.72 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -119.04 166.52 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -82.63 73.65 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -119.69 -174.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -51.46 117.61 2.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.73 -28.33 11.62 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.41 138.93 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 -170.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 52.8 ttm -119.73 119.92 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 171.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 39.3 t -124.4 133.89 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -168.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.2 tpp -77.16 128.9 35.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.31 151.55 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.165 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -140.02 169.73 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.84 31.44 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.06 -173.41 21.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -59.95 123.35 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 111.272 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 54.72 40.1 31.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.217 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.587 ' O ' HG22 ' A' ' 96' ' ' THR . 47.3 m -132.13 50.95 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 154.91 51.02 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -116.56 -127.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.177 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 17.9 p -133.18 -11.95 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -72.68 155.64 39.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -145.01 156.36 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.26 131.41 55.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -97.09 105.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.206 166.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.88 126.91 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -109.78 -25.44 10.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 175.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -129.11 133.13 24.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 173.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.27 131.16 17.98 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.697 1.598 . . . . 0.0 111.191 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.38 99.9 26.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -173.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.18 -36.04 84.49 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.758 1.639 . . . . 0.0 111.22 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.05 -19.94 64.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.4 mt -113.54 -2.44 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -65.07 104.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.12 5.06 86.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -79.06 -53.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -98.45 -179.83 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 m -100.79 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.4 t -70.74 118.73 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 173.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -124.57 -13.44 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 -170.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.72 179.15 24.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.13 126.93 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.8 t -67.44 129.9 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.1 p -115.19 -20.02 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -155.01 146.74 23.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 23.11 59.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 ptm -67.99 -19.99 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -92.59 4.94 52.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.68 -44.6 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.215 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.02 -31.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.3 p -96.41 -20.82 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 39.0 mmt -71.1 149.97 45.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.227 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -104.59 161.84 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -65.28 134.87 54.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.77 69.65 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.85 147.31 53.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.87 144.24 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 140' ' ' VAL . 62.3 mtt -73.01 148.85 43.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -103.41 -49.49 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -150.02 112.04 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.428 HG21 ' SD ' ' A' ' 137' ' ' MET . 63.7 t -118.15 127.16 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -144.85 149.85 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -129.94 139.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -149.99 163.9 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -100.98 113.98 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -90.12 123.4 65.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 1 C--O 1.0 -11.399 0 C-N-CA 121.755 1.636 . . . . 0.0 111.211 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.11 178.59 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -137.24 138.73 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.232 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.03 151.88 17.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -126.9 128.24 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.01 117.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 170.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.8 tp -102.64 123.65 46.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mmm -88.87 148.9 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.216 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -64.11 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.05 -11.38 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -4.68 50.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 155.79 50.43 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -130.04 130.02 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.218 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.1 mt -120.54 110.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.224 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -113.54 128.85 56.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 28.0 p90 -144.34 150.39 37.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.203 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.73 153.59 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -110.37 144.85 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.208 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -130.4 82.05 66.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.92 -14.99 48.2 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.672 1.581 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.45 -24.39 61.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.67 -41.74 11.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.42 90.27 4.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.24 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.31 -56.32 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.668 1.578 . . . . 0.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.89 -40.16 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -45.89 85.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.64 -44.36 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.89 78.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.81 -46.59 87.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -56.54 -46.71 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.243 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.27 -49.72 76.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.266 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.9 -41.02 90.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.67 -49.87 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.46 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.256 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.42 5.03 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.28 5.17 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 167.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.58 22.4 69.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.81 -56.45 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -71.02 -21.63 62.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.02 110.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.46 -5.24 35.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.06 151.67 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.18 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -113.91 166.67 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.01 106.04 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 172.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -77.75 -16.82 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -148.8 76.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.53 120.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.15 96.08 29.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.63 139.87 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.662 1.574 . . . . 0.0 111.215 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.93 -11.89 70.15 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -131.82 -91.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.179 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.82 129.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -93.14 126.79 38.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.29 130.94 53.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.9 -176.33 26.16 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.57 23.53 4.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 72.1 m -110.62 127.99 26.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 67.8 Cg_exo -58.94 -34.22 99.03 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.675 1.583 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.5 -18.91 12.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.88 23.42 61.89 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -100.05 5.17 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 111.198 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.81 3.19 74.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -116.07 118.36 32.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 111.203 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.57 177.26 52.58 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -143.22 80.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.28 155.01 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.41 30.88 9.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -119.9 143.67 47.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -120.65 159.99 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.5 100.01 52.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.39 144.48 96.34 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.722 1.614 . . . . 0.0 111.176 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.4 t -72.5 102.38 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.86 142.9 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.1 p -125.07 -23.7 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -109.96 149.91 29.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -97.45 -30.0 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 3.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -97.28 150.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.31 175.16 11.67 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.705 1.603 . . . . 0.0 111.207 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -106.27 141.19 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.92 96.28 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 -176.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -73.95 71.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.2 m -106.58 -173.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -53.55 117.18 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -22.82 37.89 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.11 139.42 52.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.226 -170.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.6 mtp -123.28 130.36 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.5 p -136.63 164.6 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 69.3 mtp -114.54 143.97 44.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.19 135.08 47.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -149.99 165.54 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -138.62 27.93 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.89 -171.27 21.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.55 133.91 52.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 53.27 30.12 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.5 m -142.17 119.89 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.221 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.42 -161.49 32.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.0 p -142.2 -179.88 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.4 p -83.58 -9.81 58.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.22 147.46 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.63 170.02 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -173.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -126.94 144.02 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.6 mt -119.31 111.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 167.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.13 139.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -170.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.49 -40.19 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.191 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -131.18 158.68 74.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.238 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.6 Cg_exo -49.83 119.49 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.642 1.561 . . . . 0.0 111.168 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.424 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 96.9 mm-40 -121.28 89.03 46.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 177.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 108' ' ' GLN . 52.7 Cg_endo -65.07 -20.0 63.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.655 1.57 . . . . 0.0 111.286 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.0 mt -106.42 0.75 25.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -65.66 100.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.26 -4.84 65.04 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.95 -44.23 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -117.78 169.86 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.9 m -97.92 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.2 132.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -128.08 -16.65 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.24 -177.89 33.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -158.38 129.28 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.515 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 88.8 t -64.63 130.94 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.6 p -118.57 -18.82 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.8 t -145.01 142.95 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.264 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.19 15.46 51.33 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.05 -30.1 68.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 111.172 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -57.04 -33.81 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.0 t -79.84 -46.0 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 -43.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -78.28 -10.0 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -115.48 17.64 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 96.7 mtp -67.82 155.37 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.83 152.4 47.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -65.11 127.04 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.78 -4.99 42.8 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -59.6 145.07 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.266 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.3 p -123.6 140.31 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.199 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -81.76 104.86 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.89 -43.61 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -161.21 153.85 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 173.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.81 129.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.34 160.95 37.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.2 t -134.85 133.48 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.09 151.42 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -76.25 77.29 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -123.51 91.32 49.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.414 0 C-N-CA 121.689 1.592 . . . . 0.0 111.214 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.52 144.54 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -135.55 164.76 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.63 160.29 23.73 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -143.06 130.66 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -117.34 111.1 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 tp -90.63 129.91 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 168.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.8 mtt -101.12 154.42 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -60.0 -27.9 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.7 4.89 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.32 -0.89 62.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.66 138.5 44.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.85 96.37 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.257 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -100.65 124.66 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.55 133.16 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 40.7 p90 -144.09 158.23 43.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -173.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.03 155.68 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -113.19 146.87 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.229 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -129.93 83.6 63.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 -174.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.53 -30.33 53.85 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.73 1.62 . . . . 0.0 111.173 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.4 -32.26 72.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.12 -40.31 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.05 87.83 5.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.15 -51.7 9.56 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.683 1.589 . . . . 0.0 111.215 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.37 -41.81 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 m -60.87 -46.56 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.5 -44.96 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.0 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -68.54 -40.73 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -60.32 -47.16 87.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -56.76 -48.71 77.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -50.87 -53.39 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.16 -50.55 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.84 92.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.203 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -83.65 4.49 28.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -107.65 6.13 27.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 168.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.04 20.92 72.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.03 -56.48 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.7 m-85 -74.01 -23.8 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -61.38 110.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.08 -10.0 36.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.2 mt -85.56 166.39 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.259 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -119.63 -169.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -105.16 153.42 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -92.54 -80.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -99.69 107.42 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.3 t -102.3 123.91 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.9 90.08 43.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -62.46 129.87 28.14 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.703 1.602 . . . . 0.0 111.224 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.87 5.04 78.15 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -132.63 -86.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.251 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.26 130.08 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -118.98 147.08 44.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -110.69 135.31 51.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 164.05 40.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.23 -148.37 19.8 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 31.0 p -151.75 157.92 34.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.225 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 55.6 Cg_endo -69.29 -20.28 37.25 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.173 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -73.49 -28.52 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.222 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.95 15.38 81.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.84 -10.26 21.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -4.98 68.27 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -104.43 110.83 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.213 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.63 138.32 48.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -150.32 96.66 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.139 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.04 -2.73 58.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.24 71.74 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -168.06 178.95 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -119.37 158.49 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.96 115.55 40.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.69 137.16 42.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.713 1.609 . . . . 0.0 111.259 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.4 t -73.58 123.45 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.26 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -104.47 4.65 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.5 m -64.19 -36.9 85.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.02 -33.33 73.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.18 -32.82 59.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -144.58 90.0 6.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.01 143.11 74.79 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -157.69 179.86 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -172.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -126.87 146.49 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.21 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.68 80.3 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.69 -164.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -51.83 116.43 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.31 -11.39 68.98 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 136.99 47.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.7 ttm -120.23 118.78 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 94.8 p -125.33 151.02 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -172.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.3 tpp -89.87 133.27 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.269 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.38 130.31 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.497 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 31.0 p80 -159.35 -177.46 6.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 171.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.42 31.94 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.35 -168.44 23.79 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.98 119.8 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 111.227 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.0 t0 69.91 41.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 p -130.62 26.51 5.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.231 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -75.48 154.32 45.61 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -171.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -117.04 -171.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 174.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.9 p -81.06 -10.1 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.262 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -85.65 149.49 25.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -148.94 154.01 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -101.63 127.25 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.1 mt -96.99 110.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 168.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.39 124.7 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -95.01 -50.0 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -106.56 150.15 39.23 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.2 130.47 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.585 1.524 . . . . 0.0 111.237 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.98 90.09 43.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.25 53.86 4.7 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.678 1.585 . . . . 0.0 111.182 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.71 -23.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.5 2.66 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.92 110.51 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.97 -8.28 70.23 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.52 -40.61 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -127.12 179.17 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -123.71 109.67 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.282 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 70.9 t -67.49 130.14 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 175.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -128.36 -11.88 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -150.96 -176.73 24.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -158.56 127.45 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 111.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.487 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 90.2 t -67.47 133.28 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.6 p -117.68 -21.9 8.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.6 t -147.99 148.53 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.94 15.37 52.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.8 mtp -61.41 -28.56 69.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.219 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.29 -28.42 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.43 -43.0 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 176.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.77 -47.35 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -68.81 -11.13 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.8 p -118.64 19.67 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.5 ttm -58.06 132.91 54.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -80.11 154.45 28.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -66.98 107.77 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 31.01 55.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -50.08 120.12 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.61 122.85 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.5 mtm -85.6 113.37 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.07 -40.76 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -170.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -152.35 109.58 3.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.85 129.81 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.04 159.5 43.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -129.75 139.79 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -142.85 172.57 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -116.05 124.17 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -132.77 130.96 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 1 C--O 1.001 -11.351 0 C-N-CA 121.732 1.621 . . . . 0.0 111.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.775 0.322 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.71 163.72 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -130.46 156.07 45.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -153.49 -179.98 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.35 -167.02 34.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -150.94 149.82 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.145 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.2 mt -109.17 101.86 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 tp -79.87 120.47 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.4 mmm -90.04 147.73 23.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.55 5.34 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.99 58.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.52 170.65 53.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -157.49 127.81 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.44 105.34 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -88.32 132.42 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -139.65 161.37 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -123.21 150.12 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.08 153.12 26.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -127.19 92.46 43.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.14 -28.84 53.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.697 1.598 . . . . 0.0 111.174 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.12 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.81 -43.21 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.32 93.39 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.225 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.71 -46.73 31.15 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.741 1.627 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -47.4 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.4 m -62.72 -46.65 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.08 -48.2 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.0 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.02 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.85 -44.16 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.19 -46.99 87.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.56 -42.62 88.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.32 -50.1 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.252 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.8 83.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.228 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -77.75 -5.14 49.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 -174.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -99.14 3.54 46.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.08 18.41 80.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.76 -41.77 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.15 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' HA ' HD22 ' A' ' 43' ' ' LEU . 70.6 m-85 -85.6 0.15 53.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -171.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -69.95 102.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.23 -1.6 31.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 40' ' ' TYR . 11.1 mp -87.07 142.12 28.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 111.198 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -114.53 165.45 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -170.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -91.96 99.01 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 168.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -81.74 -14.2 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -168.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -134.86 80.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.49 130.15 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -121.78 96.66 46.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.95 122.28 11.4 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.735 1.624 . . . . 0.0 111.212 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.79 -16.3 58.72 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -128.99 -128.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.237 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.87 120.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.1 m -105.95 148.52 27.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -123.82 135.46 53.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.68 176.11 26.69 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.25 24.41 1.45 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -109.98 113.26 57.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.38 102.65 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.736 1.624 . . . . 0.0 111.181 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 50.04 31.27 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.97 59.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -96.13 13.21 28.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.241 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.11 -97.55 2.34 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -115.26 119.7 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.197 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.32 40.65 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -77.34 73.35 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.43 -44.02 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.44 14.82 70.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -124.83 122.81 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -128.68 129.99 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.14 158.52 63.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -87.21 179.47 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.705 1.603 . . . . 0.0 111.177 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.08 109.7 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 170.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -100.4 144.76 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.6 p -129.07 -11.87 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.1 m-20 -109.18 149.99 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.8 m-80 -99.56 -22.18 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 6.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -98.79 150.14 36.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.01 139.19 70.71 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -110.23 60.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.63 148.53 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -92.9 72.11 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.86 -171.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -54.32 111.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.57 -10.02 66.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.73 144.91 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.208 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.42 122.26 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 97.3 p -124.73 153.76 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.0 tpp -90.03 130.37 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 132.12 46.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -160.58 -178.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.85 -4.62 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.55 -146.39 12.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -75.49 129.51 37.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 57.64 55.28 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.1 p -138.22 -8.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.19 165.09 43.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 91.7 p -150.04 -119.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.73 0.3 . . . . 0.0 111.239 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -128.51 -8.12 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.185 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -78.52 141.49 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -145.28 164.97 29.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -171.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.84 154.98 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.27 119.8 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 163.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.73 122.91 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.57 -51.41 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 39.3 tp10 -106.05 130.98 22.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.23 173.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 87.1 Cg_exo -51.17 137.89 45.42 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.723 1.615 . . . . 0.0 111.25 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -128.08 97.01 30.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.17 -32.94 89.06 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.76 1.64 . . . . 0.0 111.159 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -77.53 -9.11 58.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.257 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.78 -5.6 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.61 112.75 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.95 82.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.56 -42.61 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.74 168.15 11.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.0 m -89.67 101.18 13.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.226 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.8 t -70.26 130.02 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -132.67 -15.74 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.2 179.94 25.59 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -158.35 129.38 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.205 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.0 134.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 78.1 p -114.75 -21.53 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.7 t -157.44 141.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.91 11.2 60.54 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.44 -29.01 61.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -54.46 -31.94 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.06 -36.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.0 -48.04 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.216 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.7 ttp-105 -58.48 -38.38 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 p -97.05 10.08 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.2 ttm -69.71 142.55 53.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.04 150.12 21.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -60.83 115.78 3.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.67 19.08 49.78 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -57.44 134.1 55.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.25 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.9 132.76 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.8 mtm -83.76 126.1 32.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.95 -47.56 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -148.79 108.16 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.8 119.36 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.67 148.36 51.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.5 t -134.96 139.2 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -144.66 165.04 29.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.04 139.91 36.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -159.98 73.85 3.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 1 C--O 1.0 -11.386 0 C-N-CA 121.613 1.542 . . . . 0.0 111.232 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.22 159.1 15.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.05 129.98 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.234 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.22 176.49 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.02 -176.68 41.06 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -149.93 157.26 42.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.27 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.7 mt -118.51 111.26 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 tp -90.7 120.13 31.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.2 mmm -92.6 153.31 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.22 -25.01 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -94.55 12.78 26.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.87 10.59 78.58 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 64.87 4.1 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.26 116.43 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.41 156.23 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.278 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -118.72 148.55 42.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -145.07 165.08 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.45 153.26 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.74 156.92 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -129.28 80.04 73.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -66.88 -16.1 48.95 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.624 1.549 . . . . 0.0 111.201 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -82.54 -9.49 59.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -108.04 -37.36 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.17 78.62 16.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.98 -48.62 21.16 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.681 1.587 . . . . 0.0 111.179 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.24 -50.92 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 -171.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.8 m -62.19 -42.47 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.87 -44.82 99.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.42 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.54 -43.28 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -56.1 -48.93 75.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.62 -45.57 91.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.51 -45.27 89.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.71 -46.65 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.84 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.93 -4.98 54.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.29 22.74 72.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -51.19 -43.73 61.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.327 . . . . 0.0 111.202 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -82.26 -16.85 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -171.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -70.05 103.55 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.04 -14.29 31.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.91 163.94 21.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 p -120.9 166.84 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 28.3 m-85 -80.86 124.18 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -54.95 -54.84 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -159.97 129.76 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.2 114.98 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.78 104.59 56.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.19 130.86 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.176 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.59 79.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -141.24 -92.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.1 t -144.07 138.54 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -109.22 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -105.39 130.08 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -79.87 160.54 44.98 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.06 -148.46 24.22 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 30.4 p -154.83 164.54 20.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -169.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 89.3 Cg_exo -54.93 -35.41 89.37 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.654 1.57 . . . . 0.0 111.15 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.1 -36.26 83.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.85 84.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -173.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -101.46 -3.62 28.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.09 4.82 77.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -117.25 112.98 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.99 145.23 44.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -153.22 44.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 -18.68 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.6 -2.46 58.85 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.33 69.03 7.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 m -103.58 121.99 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.195 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.416 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 46.7 pt -130.02 159.35 70.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 178.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 71' ' ' ILE . 94.5 Cg_endo -71.94 163.61 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.748 1.632 . . . . 0.0 111.176 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.71 136.76 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -89.76 -6.09 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.2 p -69.03 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.36 -35.52 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.83 -27.19 11.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -143.56 83.33 10.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -51.05 130.79 32.96 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.683 1.589 . . . . 0.0 111.224 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.77 141.77 43.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -102.69 144.67 30.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -109.8 108.03 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.32 -178.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -54.96 118.51 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.44 -19.3 42.78 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.94 143.43 56.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -171.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.3 mtp -118.76 127.85 53.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -141.11 142.78 34.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 38.5 ttm -68.77 135.78 51.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.92 150.34 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -129.18 146.21 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -99.86 7.48 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.14 -174.43 36.9 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -59.45 120.06 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 53.04 33.92 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -126.35 68.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.38 159.68 47.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.5 p -118.81 -178.07 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 111.146 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.47 2.56 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -90.26 144.02 26.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -130.09 156.59 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -138.25 151.04 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.99 123.72 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.19 135.04 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.6 -31.32 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.79 149.19 72.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.49 134.42 39.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.716 1.61 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -125.12 87.67 55.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.03 -31.94 66.48 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.712 1.608 . . . . 0.0 111.195 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -71.24 -24.13 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.63 -9.57 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.68 125.09 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 4.92 85.5 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.6 t -102.62 -48.39 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -109.87 160.3 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -96.47 110.43 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.95 134.89 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 -15.31 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -171.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.21 -167.2 30.33 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -159.71 149.57 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 111.262 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.67 130.21 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 -18.85 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -171.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.7 p -136.93 146.43 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 67.32 34.92 86.75 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 75.7 mtm -59.79 -39.1 83.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.82 -39.08 93.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.81 -43.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.87 -44.1 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.02 -35.75 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.7 p -96.37 17.11 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.66 160.01 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.62 159.17 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -68.77 110.55 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.59 12.76 57.88 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -60.02 132.71 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.209 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.1 t -88.37 129.17 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 -167.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.0 mtm -85.48 123.01 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -89.75 -40.28 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.261 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -157.65 136.14 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.6 t -128.14 120.59 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 170.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -127.27 133.55 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -172.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -118.42 139.9 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.05 165.74 28.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.01 149.98 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -125.31 129.97 24.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.67 1.58 . . . . 0.0 111.197 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.3 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.823 0.344 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.17 146.02 35.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.267 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -89.92 139.95 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.3 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -149.07 167.02 27.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.33 165.63 25.7 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -140.02 119.91 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.181 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 96.6 mt -92.03 125.62 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.1 tp -111.16 120.09 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mmm -90.36 153.99 20.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.51 -27.52 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -92.84 16.95 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.64 12.54 69.12 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.63 136.98 36.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -124.46 95.21 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -175.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 78.3 mt -115.77 105.13 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -175.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -103.63 134.2 47.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -142.99 158.98 43.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -104.58 157.96 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.68 147.48 33.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.75 83.1 58.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -66.49 -14.56 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -67.54 -29.1 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' ASN . 99.3 mt-10 -78.94 -36.97 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.11 93.67 1.02 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.46 -47.04 29.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.621 . . . . 0.0 111.17 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.43 -44.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.5 m -64.12 -48.47 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.32 -40.4 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.08 78.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -61.69 -42.7 99.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.232 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.08 -50.92 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.74 -46.3 90.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -44.03 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.89 -45.92 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.54 94.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.51 -29.94 70.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.96 -4.71 58.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 3.31 58.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -67.17 -30.02 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.159 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.97 30.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 139' ' ' GLU . 93.5 m-20 -119.98 50.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.62 61.18 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.71 159.61 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.5 m -114.22 148.26 37.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 51.3 m-85 -97.07 97.8 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.84 -43.08 59.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -170.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -120.18 80.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.36 123.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt -119.43 97.3 50.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.239 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 127.85 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.227 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.27 -8.94 67.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 -66.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.233 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.6 p -170.8 140.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -171.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -99.25 106.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 170.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -92.23 119.73 32.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.6 177.87 42.34 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -174.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.85 24.43 2.8 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.9 t -100.0 129.46 28.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.204 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.99 -16.27 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.705 1.603 . . . . 0.0 111.182 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -98.5 -23.91 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.48 15.21 81.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -99.69 -0.46 40.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.226 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.4 -4.97 62.44 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -116.38 103.96 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 111.227 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.75 155.06 53.22 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -145.37 99.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.221 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.31 -14.1 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.6 -8.42 74.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -162.9 167.43 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -89.71 132.55 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.9 mt -97.48 125.45 45.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -56.88 144.7 87.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.696 1.597 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.3 t -95.79 97.99 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -89.53 120.04 30.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.1 p -99.2 -5.01 30.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -108.01 147.54 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -99.09 -38.39 8.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 6.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB2' ' HA ' ' A' ' 23' ' ' GLU . 99.1 m-20 -80.04 153.54 74.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 170.45 20.16 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.662 1.575 . . . . 0.0 111.153 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.55 67.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -82.11 144.51 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -101.2 94.82 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -104.02 -171.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.7 m -55.66 109.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.42 -3.36 68.85 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.08 140.29 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.0 mtp -119.63 127.99 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.3 p -137.64 153.64 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.7 mmm -88.25 139.02 30.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.29 130.29 37.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -157.19 177.19 11.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.22 33.32 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.195 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.51 -169.65 21.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.01 121.86 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.189 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 t0 69.88 47.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -138.7 0.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.85 152.08 48.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 p -119.46 -178.16 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 174.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.0 p -69.63 -18.98 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -63.29 142.64 58.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -147.63 171.72 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.27 138.67 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.06 106.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 164.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.96 138.59 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -173.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -90.65 -95.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.88 155.76 90.35 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 164.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.37 141.31 72.34 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.733 1.622 . . . . 0.0 111.169 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -126.86 87.98 55.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.76 -31.29 91.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.701 1.601 . . . . 0.0 111.188 -175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.42 -9.94 59.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -172.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.55 -4.89 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -60.86 106.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.37 -5.01 67.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -77.34 -47.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.77 169.07 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.0 m -95.59 101.36 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.38 130.32 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -126.18 -17.81 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.35 -173.91 27.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -159.95 129.9 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.269 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.9 130.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.9 p -115.12 -20.59 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -147.01 140.07 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.83 22.23 26.37 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.24 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.84 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.49 -41.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.92 -52.25 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.64 -29.81 67.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.6 p -96.02 13.27 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.222 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -61.23 144.66 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.39 149.95 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.99 110.05 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.244 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.1 7.57 52.23 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.27 130.3 46.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.136 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -94.92 132.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -173.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.0 ttp -88.53 136.04 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.03 -52.05 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 41' ' ' ASN . 25.2 pt-20 -166.92 162.71 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.2 t -130.0 132.5 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.75 154.5 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.02 131.24 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -129.93 160.37 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -122.08 137.59 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -131.17 129.73 22.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.001 -11.344 0 C-N-CA 121.646 1.564 . . . . 0.0 111.205 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.91 142.83 22.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.87 150.34 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.33 131.92 38.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.49 -175.0 14.71 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -153.99 147.08 24.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.249 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -106.39 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 165.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.44 122.53 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 mtt -95.07 152.7 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.02 -20.37 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.264 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.69 1.38 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.07 7.74 69.87 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.38 63.87 4.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.22 126.25 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 111.19 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -116.3 116.02 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.85 135.34 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.32 161.02 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.248 -169.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -120.24 141.32 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.42 154.01 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.85 80.53 25.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.47 -14.89 43.93 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.613 . . . . 0.0 111.199 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -69.85 -29.48 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.64 -35.45 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.94 79.04 23.58 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.32 -48.83 19.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.691 1.594 . . . . 0.0 111.186 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.98 -51.37 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.1 m -63.39 -44.6 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.23 -43.23 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.1 85.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.42 -49.2 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.93 -46.09 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.59 -50.07 71.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.52 -49.7 76.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.59 -49.76 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.59 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.85 -23.11 60.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.62 1.97 39.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.99 63.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.64 -58.13 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -70.12 -26.47 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -61.82 110.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.53 32.06 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.26 168.99 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -124.97 174.29 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.4 96.51 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.04 90.09 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.84 129.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.5 mt -122.23 94.29 48.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.64 128.97 32.52 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.654 1.569 . . . . 0.0 111.223 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.21 67.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -130.01 -96.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.202 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.98 177.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -146.58 146.0 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -124.69 134.72 52.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.95 -173.81 25.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.55 18.01 55.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.91 121.65 72.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.41 -21.93 7.21 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.714 1.609 . . . . 0.0 111.208 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -85.44 -32.8 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.08 6.69 89.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -110.13 6.7 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -12.94 67.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -103.9 134.14 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.75 168.87 54.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -133.77 59.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.707 0.289 . . . . 0.0 111.201 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.43 167.65 28.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.99 92.16 0.14 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.21 149.56 25.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.8 m -87.44 103.21 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mm -112.53 101.16 52.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.08 143.07 94.01 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.731 1.621 . . . . 0.0 111.18 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.11 64.13 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.88 122.83 24.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.225 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -118.86 -21.53 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -61.35 108.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.231 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.0 t30 57.81 41.25 25.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -147.14 74.96 11.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.68 140.51 90.71 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.712 1.608 . . . . 0.0 111.212 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.42 51.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.42 131.57 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -100.14 76.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.1 m -112.65 -178.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.9 m -53.53 118.05 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.01 -7.42 67.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 129.66 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 60.8 ttm -116.88 123.75 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -132.26 155.42 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.4 tpp -94.87 133.49 38.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.82 144.97 52.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -155.73 165.19 37.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.07 38.65 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.66 -177.63 16.96 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -69.22 139.95 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.768 0.318 . . . . 0.0 111.179 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 58.08 34.89 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -149.38 69.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.16 161.36 15.59 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.5 p -117.73 -173.08 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 111.225 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.8 p -90.58 -0.45 57.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.87 149.95 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.05 159.26 42.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.6 144.69 40.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 115.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 165.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.3 t -81.75 139.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -98.22 -40.35 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -136.22 153.83 76.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.0 Cg_exo -52.66 121.94 10.04 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.69 1.593 . . . . 0.0 111.172 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -126.07 94.01 42.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -56.01 -32.77 87.38 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.679 1.586 . . . . 0.0 111.188 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -79.17 -9.84 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.49 -2.7 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.46 133.73 51.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.27 5.03 89.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.3 t -81.97 -49.67 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -110.77 169.9 8.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.0 m -89.73 99.45 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.0 t -78.16 129.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.275 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -138.61 -13.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.08 155.16 22.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -139.97 121.01 14.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.76 134.48 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.6 p -116.18 -21.76 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 t -148.41 140.19 23.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.51 35.25 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -172.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.6 mtp -64.61 -26.31 68.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.08 -41.2 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 172.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.71 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.36 -51.37 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 174.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -50.62 -49.66 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.2 p -112.15 50.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 95.3 mtp -65.12 146.71 54.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 173.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -91.42 133.52 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -66.19 121.96 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.28 10.45 77.66 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 135.88 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.192 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.88 129.19 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -175.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 75.6 mtm -80.74 100.09 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.23 -45.97 90.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -152.11 113.81 4.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.93 115.34 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -129.98 149.94 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.3 t -135.27 127.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.93 132.48 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.33 133.25 45.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.64 149.43 48.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.25 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 1 C--O 1.0 -11.411 0 C-N-CA 121.697 1.598 . . . . 0.0 111.196 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.09 139.67 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -140.0 150.05 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -144.77 138.04 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.71 -176.38 17.69 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -154.91 151.46 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.7 111.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 169.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -89.25 125.66 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -88.04 160.24 17.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.42 -16.22 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -88.69 0.36 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.182 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.22 4.57 71.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 104.18 2.0 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.94 114.82 26.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.18 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.03 119.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.63 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -144.95 157.44 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.36 145.47 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.53 155.95 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.1 75.67 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.15 -19.07 45.33 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.751 1.634 . . . . 0.0 111.178 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -69.29 -28.75 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -99.97 -32.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.13 75.63 53.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.13 -57.18 2.15 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.66 1.573 . . . . 0.0 111.209 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.45 -50.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -170.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.6 m -60.15 -49.72 76.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.76 -41.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.44 88.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.9 -42.29 94.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.03 -50.94 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.0 -43.86 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.3 -49.78 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -58.48 -46.8 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.95 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -67.16 -31.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -81.74 1.14 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 23.06 75.79 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.06 -57.79 7.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.03 -27.19 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.217 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -61.66 110.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.79 30.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.3 mt -88.59 173.58 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 p -128.93 174.02 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -170.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 68.3 m-85 -99.79 96.22 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 166.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -71.05 -32.27 68.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -119.32 76.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 -172.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 74.5 t -101.32 119.67 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.89 101.11 53.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.34 132.75 54.06 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.691 1.594 . . . . 0.0 111.238 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.15 8.7 87.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -133.43 -77.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.315 . . . . 0.0 111.169 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.77 139.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.229 -172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -117.25 100.62 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -96.56 134.09 40.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -159.55 -166.27 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.74 13.76 64.32 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.2 t -77.61 125.67 85.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.184 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.22 -20.98 14.05 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.69 1.593 . . . . 0.0 111.236 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -90.33 -25.46 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.82 15.98 80.6 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -102.9 -1.49 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.83 -20.0 52.35 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -130.57 121.1 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.41 -171.09 45.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -135.44 88.29 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.241 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.65 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.31 82.78 0.19 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -97.76 143.17 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -86.31 94.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.248 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -122.45 107.69 34.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.01 156.24 65.92 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.756 1.637 . . . . 0.0 111.108 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.2 t -63.05 99.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.74 82.4 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -103.79 -2.57 26.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.15 100.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.186 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 55.24 38.22 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -173.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -148.75 77.45 9.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.04 129.38 32.87 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.656 1.57 . . . . 0.0 111.215 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -86.68 58.3 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -80.81 117.99 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -101.15 86.48 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.0 m -125.69 -174.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -49.94 117.9 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.98 -17.57 52.06 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 141.55 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.179 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mtp -115.32 127.15 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -139.21 139.23 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 101' ' ' PHE . 99.6 mmm -81.6 148.43 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.7 104.69 6.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -119.93 149.84 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.01 41.83 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.0 178.88 18.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -64.84 147.38 53.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 53.44 29.97 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -150.5 81.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.94 155.36 16.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 p -106.24 -177.64 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 0.0 111.214 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.22 -1.2 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.4 150.0 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' HB3' ' SD ' ' A' ' 89' ' ' MET . 32.2 p90 -138.64 170.1 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.24 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -148.98 148.2 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.7 mt -109.64 131.34 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.42 135.13 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.251 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -97.67 -37.55 9.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -133.5 157.22 78.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.0 Cg_exo -51.35 121.65 8.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 121.693 1.595 . . . . 0.0 111.188 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -127.87 90.0 49.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.96 -30.3 68.55 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.678 1.586 . . . . 0.0 111.244 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.04 -18.77 59.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -91.85 -15.74 27.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.58 126.57 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 3.73 90.29 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.6 t -87.48 -49.58 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -115.26 171.72 7.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.215 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.6 m -94.33 109.75 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.09 133.34 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 172.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.67 -15.93 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -168.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.15 -176.79 33.64 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -156.95 133.59 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -71.93 137.66 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.234 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.1 p -116.69 -29.44 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.7 t -143.23 128.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.11 10.68 64.06 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.54 -42.58 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 111.233 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.0 -40.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.22 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.67 -43.62 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -58.73 -36.18 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.3 p -113.99 28.6 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.49 149.9 45.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.249 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.98 149.84 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 62.7 t30 -70.17 131.14 43.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.19 16.48 62.67 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.98 130.01 44.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.122 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.23 128.98 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 -172.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -83.77 100.9 11.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.73 -45.53 92.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -152.18 112.7 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.8 t -109.06 117.12 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -129.87 142.04 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.3 t -134.77 127.76 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 173.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -120.97 138.01 54.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -175.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -76.62 129.98 37.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.72 149.96 75.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.0 -11.387 0 C-N-CA 121.697 1.598 . . . . 0.0 111.241 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.77 0.319 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.57 168.44 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' HB2' ' A' ' 19' ' ' LEU . 17.2 ptpt -149.08 163.62 37.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -129.8 175.65 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.03 172.19 33.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -146.82 128.88 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 111.157 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 94.9 mt -102.0 114.21 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 173.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -90.82 120.25 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.2 mmm -89.98 152.42 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -60.26 -25.72 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -90.4 9.43 29.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.81 10.48 69.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 138.66 39.73 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -118.65 93.31 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.144 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 71.9 mt -108.69 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -175.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -101.52 132.01 47.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.55 159.52 41.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.271 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -108.3 156.03 19.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' A' ' 3' ' ' LYS . 97.3 mt -115.73 154.88 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -123.3 78.59 53.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.56 -14.95 40.8 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.634 1.556 . . . . 0.0 111.229 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -87.42 -9.79 53.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.1 -29.99 7.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.92 75.47 24.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.43 -53.92 5.81 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.714 1.609 . . . . 0.0 111.171 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.48 -48.34 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -61.57 -47.67 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -41.51 91.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.257 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.99 -49.94 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.69 -50.0 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -56.0 -56.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.51 -42.97 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.74 76.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -71.56 -21.68 61.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -81.35 -7.9 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.79 14.85 56.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -79.99 -17.81 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -102.1 17.76 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -103.73 113.07 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.21 11.31 39.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 mt -81.29 153.36 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 m -112.98 147.44 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 72.3 m-85 -88.8 104.73 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 169.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -86.2 -20.92 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -166.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -141.79 87.09 2.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -98.91 122.55 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 96.88 49.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -54.99 127.21 25.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.729 1.62 . . . . 0.0 111.215 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.41 -2.05 70.32 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -129.94 -71.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.365 . . . . 0.0 111.209 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -165.44 135.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -171.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.17 100.6 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 171.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -89.98 129.23 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.79 -150.93 6.91 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.87 23.7 68.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -102.83 121.91 47.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.219 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -61.53 -37.22 72.01 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.213 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -91.28 -18.05 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.195 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.89 75.14 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -121.73 8.09 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.152 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.43 -3.74 72.47 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -91.57 114.24 26.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 111.217 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.03 108.72 2.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.87 41.81 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.52 -24.15 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.6 72.41 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -130.8 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 p -133.6 160.22 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.59 109.98 35.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.59 144.92 72.64 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.732 1.621 . . . . 0.0 111.161 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.3 t -62.1 102.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -77.32 129.48 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.6 m -127.48 119.19 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.71 -150.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -27.36 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -59.88 119.52 41.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.98 -29.08 81.25 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.717 1.611 . . . . 0.0 111.211 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 62.63 61.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -79.39 138.47 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -113.21 92.06 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.1 m -122.29 -170.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -54.0 117.2 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' SD ' ' A' ' 125' ' ' MET . . . 100.96 -18.85 54.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.07 127.99 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.3 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.5 mtp -103.38 118.58 37.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -136.91 140.05 42.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.1 mmm -78.69 153.93 30.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 -175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.33 140.18 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -154.34 173.45 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.35 44.38 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.18 168.33 11.34 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.16 139.67 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.261 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 51.59 31.65 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -149.96 75.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.39 -177.5 15.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 p -119.88 -176.03 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.3 p -80.07 -8.4 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -71.58 153.08 42.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -150.03 -179.15 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.08 149.65 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.5 121.74 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.3 140.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.249 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -95.31 -36.28 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -136.75 155.87 76.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 82.0 Cg_exo -49.55 121.23 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.7 1.6 . . . . 0.0 111.234 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -125.85 92.74 45.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -54.62 -29.27 60.02 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.187 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.92 -16.89 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.81 -13.49 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.68 116.76 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.04 2.26 86.13 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -86.88 -49.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 111.193 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.59 169.57 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -91.21 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.6 t -89.01 133.87 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -132.97 -17.84 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.85 -176.82 30.34 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -160.0 129.88 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.2 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.65 131.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.6 p -118.81 -23.7 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -144.79 136.66 25.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.13 63.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.403 ' SD ' ' HA2' ' A' ' 85' ' ' GLY . 14.6 tpt -55.77 -30.03 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 111.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.9 -40.14 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.04 -34.74 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.38 -45.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.73 -33.15 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 82.0 p -100.99 15.61 28.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.8 ttm -62.44 148.68 44.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.71 150.13 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.11 123.4 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.23 -5.16 31.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.35 140.13 58.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.23 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.44 138.69 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.4 mtm -79.97 100.01 7.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.46 -43.15 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -159.98 120.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 73.6 t -111.06 120.15 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -126.49 149.98 49.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.3 134.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.18 148.08 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.68 82.9 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -116.95 93.99 43.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 1 C--O 1.0 -11.402 0 C-N-CA 121.662 1.575 . . . . 0.0 111.289 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.31 154.71 41.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -122.75 147.02 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.202 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.22 168.66 19.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.56 160.69 28.88 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -148.77 129.94 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 111.193 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -114.22 119.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.188 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -97.27 129.97 44.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mmt -99.34 154.7 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.67 -21.27 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -90.05 9.02 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.2 2.51 70.92 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.99 141.51 43.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.97 107.64 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -114.72 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -109.08 132.73 53.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.0 p90 -149.22 165.07 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -171.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -108.55 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -113.53 141.26 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -127.61 88.47 53.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -170.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -54.13 -29.45 55.99 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.681 1.587 . . . . 0.0 111.22 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.18 -29.63 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.57 -39.9 21.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.83 90.58 2.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -55.64 -60.75 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.732 1.622 . . . . 0.0 111.2 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.22 -40.48 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.3 m -58.88 -48.85 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.245 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 -42.47 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.95 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.08 -49.69 73.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.62 -44.96 96.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.75 -50.16 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.77 -43.54 98.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.55 -32.74 74.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.33 -7.45 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.86 20.19 66.07 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.49 -50.9 56.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 111.243 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -71.56 -22.66 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -69.95 101.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.18 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.26 -3.93 47.8 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.11 146.62 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.2 p -120.64 160.39 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.98 172.3 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 168.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -142.76 -24.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -139.94 79.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.272 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.3 t -89.78 129.19 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mt -127.14 91.09 47.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.222 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.25 130.06 38.15 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.722 1.614 . . . . 0.0 111.185 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.73 -6.95 70.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -129.79 -87.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -160.08 134.02 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 p -99.97 132.26 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -112.69 128.66 56.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.227 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.58 -174.89 17.24 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.53 33.41 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -122.96 153.18 63.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.23 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.32 -24.1 8.19 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.734 1.623 . . . . 0.0 111.191 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.91 -0.0 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 31.35 56.72 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.96 4.69 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.33 4.99 85.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -124.23 130.04 51.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.194 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.78 157.74 51.78 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.95 0.0 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.67 -53.04 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.91 18.21 80.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -100.1 159.97 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.7 m -110.52 119.77 40.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.8 mt -107.55 128.53 25.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.12 144.67 38.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.174 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.18 121.02 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -108.8 138.68 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -12.63 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -110.09 150.03 29.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -100.0 -34.26 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 5.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -80.09 150.03 70.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.29 161.65 45.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.603 . . . . 0.0 111.083 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -107.51 115.59 30.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.189 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -112.47 140.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HD1' ' HA ' ' A' ' 112' ' ' ASP . 55.7 m80 -115.6 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.9 m -131.12 178.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.7 m -44.84 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.38 58.91 1.79 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 149.47 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.291 . . . . 0.0 111.232 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.63 121.63 29.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.162 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' HG22 ' A' ' 117' ' ' VAL . 96.2 p -135.04 160.12 39.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.6 mmm -97.0 143.66 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.27 138.17 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -152.64 171.32 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.75 36.13 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.71 -170.47 21.59 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -72.98 130.07 39.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 60.33 41.62 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.9 p -130.0 2.85 4.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 139.03 37.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.3 p -112.41 -176.7 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.21 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.0 -5.4 55.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.242 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.85 146.81 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -145.33 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -168.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.85 138.35 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.239 173.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.6 116.53 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 165.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.22 131.12 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -166.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -97.67 -38.18 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.234 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -135.52 159.84 70.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.1 Cg_exo -49.7 127.15 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.734 1.622 . . . . 0.0 111.218 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -132.41 89.98 35.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.266 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -52.91 -30.02 46.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.731 1.621 . . . . 0.0 111.182 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -56.81 -39.99 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -99.1 -19.2 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HD1' ' A' ' 82' ' ' HIS . 10.3 t70 -61.34 119.54 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.91 4.59 87.01 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.35 -50.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -101.94 154.89 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -76.37 109.92 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 88' ' ' SER . 91.6 t -79.04 137.31 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -131.97 -20.46 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -142.81 165.39 26.89 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -145.57 127.69 15.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.0 t -71.71 132.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.5 p -118.02 -28.47 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -147.45 141.28 25.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.214 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.79 10.76 59.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 11.2 tpt -46.62 -40.08 12.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.204 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.44 -49.65 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.163 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -40.44 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.66 -50.0 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -67.7 -36.42 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.5 p -95.06 20.75 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.209 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.3 ttm -57.48 141.21 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.98 149.79 21.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.484 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 61.2 t30 -65.06 128.21 34.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 15.87 65.92 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -43.76 131.23 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.03 127.82 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.1 mtt -73.39 146.38 45.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -104.12 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.234 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -159.19 129.97 5.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.42 130.05 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.18 152.13 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.49 154.07 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 170.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.06 126.51 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -170.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -96.67 109.86 22.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -96.65 151.61 38.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 1 C--O 1.0 -11.404 0 C-N-CA 121.649 1.566 . . . . 0.0 111.201 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.11 155.05 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -130.14 174.09 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.9 164.41 29.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.5 164.02 29.35 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -142.78 129.12 19.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.7 mt -114.17 115.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 tp -90.92 123.86 34.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.7 mmm -90.0 156.53 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -60.28 -25.54 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -87.4 4.89 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.43 8.03 66.53 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.01 136.04 37.66 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.42 96.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.69 113.17 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -115.72 130.14 56.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.242 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -141.07 159.19 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -100.85 158.46 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.59 140.15 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -121.9 81.08 42.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.268 -169.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.21 -6.98 20.16 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.65 1.567 . . . . 0.0 111.157 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -68.13 -29.93 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.12 -27.2 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.4 72.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.96 -24.21 39.81 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.64 1.56 . . . . 0.0 111.161 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.71 -48.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -65.01 -43.85 91.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -39.76 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -67.7 -37.22 81.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -56.98 -52.7 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.65 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.97 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.11 -43.99 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.75 90.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -82.63 -0.55 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.85 -4.58 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 17.16 53.54 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 173.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -80.07 -35.12 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.157 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.13 -9.97 29.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -77.82 79.79 4.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 29.75 0.77 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 153.89 42.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.4 m -117.63 119.94 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.1 101.17 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.42 -13.09 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.39 87.07 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.1 t -108.67 111.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 76.1 mt -121.37 105.72 38.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.42 128.57 29.8 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.3 -22.77 39.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -108.7 -102.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.94 160.09 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -176.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.0 m -110.44 113.88 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -103.59 127.1 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.37 -178.55 45.54 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.64 -170.97 39.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 47.8 t -97.86 138.53 21.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 111.269 177.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 86.4 Cg_exo -53.03 -30.5 49.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.651 1.568 . . . . 0.0 111.226 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.86 5.02 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.65 19.98 77.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.85 -30.06 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.226 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.54 -12.3 68.99 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -129.97 131.34 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.94 117.02 0.94 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -129.16 60.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 111.161 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.44 154.04 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.89 40.97 2.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -160.02 176.17 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.8 m -129.99 127.98 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.18 121.29 27.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.36 145.08 47.28 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.663 1.576 . . . . 0.0 111.164 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.5 t -67.98 126.93 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.71 109.93 10.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.0 p -128.05 -9.98 5.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.265 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.18 -2.3 40.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -109.89 -168.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -49.39 142.77 10.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -51.54 139.03 47.86 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.745 1.63 . . . . 0.0 111.198 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -110.04 77.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.74 140.02 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -99.45 80.11 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.8 m -117.09 179.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.6 m -48.96 112.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.96 -31.13 7.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.54 138.93 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.4 ttp -122.36 124.34 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -126.52 144.44 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -167.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.0 tpp -90.09 129.86 36.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.06 142.17 50.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -103.79 120.06 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 58.9 ttp180 -79.97 67.97 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.59 179.66 28.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.06 121.02 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 53.52 46.91 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.5 m -141.67 72.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.55 137.15 49.93 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.2 p -98.12 -160.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.19 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.12 -11.95 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.05 130.92 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -135.38 168.87 18.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.13 152.59 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.22 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.3 mt -108.92 133.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.263 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -88.73 129.72 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -170.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.68 -47.96 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -137.5 158.9 71.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.256 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 68.7 Cg_exo -47.9 124.57 10.17 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.674 1.583 . . . . 0.0 111.221 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -119.3 94.89 48.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.244 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -55.85 -30.85 78.71 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -80.02 -9.9 59.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.25 -21.44 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -59.91 106.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.11 -5.08 52.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.44 -46.96 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.8 177.19 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.6 m -108.54 112.31 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.33 128.16 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 172.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -128.88 -15.68 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.03 178.22 22.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -158.13 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 111.221 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.2 130.45 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.2 p -113.33 -20.91 11.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -146.35 140.05 26.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 174.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.13 18.93 41.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.3 tpt -54.78 -41.53 70.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.76 -49.85 74.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.62 -50.08 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.96 -47.53 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -69.99 -19.95 63.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.7 p -102.79 17.77 23.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.247 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.7 mtt -64.03 159.88 19.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.35 160.17 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -65.32 110.07 2.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.39 9.65 38.06 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -63.87 129.04 38.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.3 139.95 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.5 mtt -73.4 154.96 39.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -114.08 -48.65 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -149.9 117.04 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.06 122.74 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -137.57 142.48 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.2 t -124.1 137.58 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.56 154.38 48.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.256 -174.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.5 80.72 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.34 90.07 33.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 1 C--O 0.999 -11.452 0 C-N-CA 121.712 1.608 . . . . 0.0 111.204 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 152.2 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -129.5 152.13 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -134.94 173.51 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 173.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.25 179.29 40.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -151.14 148.44 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 111.244 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.16 103.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 53.2 tp -80.59 120.36 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 174.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mmm -90.02 145.22 25.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.62 -27.05 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.63 18.63 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.01 60.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 167.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.77 54.66 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -161.39 110.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.204 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.51 114.23 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.68 131.08 45.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -140.2 159.75 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -172.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -105.95 160.2 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.49 154.31 32.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -130.06 82.82 65.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.82 -32.94 79.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.654 1.569 . . . . 0.0 111.186 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.12 -31.96 71.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -78.27 -40.04 38.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.52 85.15 6.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -54.62 -59.56 0.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.675 1.583 . . . . 0.0 111.155 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.84 -41.93 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -47.91 83.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.74 -46.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -50.15 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.253 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.41 -44.85 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.05 -47.05 78.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.235 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.88 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.55 -42.61 88.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.22 -50.75 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -45.3 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -80.47 -3.53 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -99.94 5.19 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 19.79 77.51 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.1 -56.03 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -68.39 -24.97 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.52 109.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -5.76 33.03 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -89.99 160.01 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.4 p -119.8 166.09 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.2 99.92 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -80.18 -15.39 57.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.19 80.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.52 124.66 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mt -130.84 88.45 46.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.24 136.74 61.78 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.697 1.598 . . . . 0.0 111.253 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.46 83.79 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.71 -111.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.33 123.16 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -94.9 154.8 17.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -134.98 137.58 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.1 26.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 113.9 22.79 5.2 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 99.3 m -119.03 133.66 23.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 73.9 Cg_exo -56.61 100.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.73 1.62 . . . . 0.0 111.15 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 52.88 29.95 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.4 32.72 84.47 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -86.58 -13.57 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.187 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.91 -61.1 4.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.5 m -70.16 84.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 111.186 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.48 177.53 54.09 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -129.69 60.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.76 91.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.05 80.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.9 137.63 54.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -140.69 107.97 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.9 pt -130.03 159.41 70.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.35 157.09 25.75 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.612 . . . . 0.0 111.204 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.04 110.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.05 140.03 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.4 p -121.92 -13.1 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.3 m-20 -109.97 150.05 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.269 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.7 m-80 -99.37 -23.45 15.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 5.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -100.03 150.13 36.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -171.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.17 155.68 18.71 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.716 1.61 . . . . 0.0 111.252 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.34 67.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.202 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -87.32 147.48 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -98.85 75.9 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.87 -175.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.5 m -52.58 111.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.48 -10.68 65.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.58 144.96 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.5 mtp -126.19 122.17 34.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.201 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -126.71 166.18 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.5 ttm -109.78 134.71 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.04 127.75 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -135.32 155.05 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.224 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -130.0 9.93 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.62 -131.67 4.27 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.27 138.09 36.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 58.25 54.96 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.3 p -132.16 -10.06 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.0 154.95 49.34 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.8 p -151.71 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.5 p -134.71 -2.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -74.49 120.44 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -131.28 165.74 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.211 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -115.64 153.45 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 69.5 mt -125.39 112.36 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 162.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -80.68 125.65 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -91.57 -48.74 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -119.91 146.89 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -52.72 137.88 59.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.245 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -129.89 97.41 23.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -57.16 -32.18 92.68 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.659 1.572 . . . . 0.0 111.202 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -69.76 -19.0 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -171.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.32 -4.45 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -63.65 107.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.02 -4.94 68.29 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.61 -46.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.186 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.27 170.87 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.5 m -94.34 108.68 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.27 129.92 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -126.47 -15.94 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -155.27 -176.02 26.98 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -159.89 127.74 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.186 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.32 134.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -116.45 -21.98 8.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.4 t -154.47 140.25 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.256 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.83 6.97 57.91 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.9 -28.66 57.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 111.198 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.8 -30.14 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.201 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.04 -39.59 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.68 -43.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.97 -40.01 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.0 p -105.73 15.08 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.4 ttm -70.02 135.57 49.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.67 140.88 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -59.48 109.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 172.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.79 19.96 41.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.03 134.0 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.7 t -85.57 130.12 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.8 mtm -81.27 99.99 8.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.189 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.74 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . 80.5 tt0 -150.08 110.17 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.87 117.39 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -129.79 149.21 51.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.22 141.9 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -145.57 164.88 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.43 140.34 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -159.89 79.87 2.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.258 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.725 1.617 . . . . 0.0 111.163 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.69 164.93 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -101.46 135.3 43.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.18 164.63 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 142' ' ' VAL . . . -158.05 172.73 35.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -158.3 159.95 36.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 tt -144.17 134.17 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.42 140.01 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.4 mtp -93.83 161.08 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -70.85 -10.81 60.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -85.52 -0.05 53.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.12 66.47 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 152.35 39.58 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.97 122.49 26.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.71 117.12 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -111.16 129.98 55.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -138.39 157.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 -171.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -103.18 155.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.04 152.62 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.28 79.16 73.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.92 -31.65 74.56 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.658 1.572 . . . . 0.0 111.208 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.72 -30.58 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.82 -41.67 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB1' ' HB ' ' A' ' 27' ' ' THR . . . -143.54 85.22 9.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.14 -59.76 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.655 1.57 . . . . 0.0 111.164 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -72.31 -37.84 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.407 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.1 m -58.54 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.84 -42.53 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.35 69.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.251 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.3 -45.22 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.8 -43.65 90.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.21 -40.09 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -47.51 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.8 -48.89 78.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.33 95.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -66.87 -29.9 69.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -81.39 -5.01 57.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.06 24.58 71.23 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.64 -42.28 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 43' ' ' LEU . 98.8 m-85 -83.37 -3.49 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -173.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.93 101.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.38 -5.04 29.84 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' TYR . 33.4 mt -80.06 170.86 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.17 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -128.2 169.61 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.52 149.51 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.05 -42.2 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -174.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -154.77 86.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.184 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.38 129.27 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.63 95.07 43.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.06 118.72 5.29 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.161 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.41 -13.1 56.96 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -134.68 -167.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.224 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.97 139.09 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -121.08 139.67 53.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -107.88 129.97 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.2 173.84 27.2 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.58 36.13 1.95 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m -119.26 146.41 40.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 111.28 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.91 -21.25 11.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.18 0.02 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 25.84 74.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -96.82 1.91 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.22 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.19 78.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -126.22 119.96 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.13 161.13 50.49 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -129.99 20.36 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 111.153 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.43 -50.48 31.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.86 -7.81 73.64 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -75.26 155.34 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -121.43 118.33 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.206 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.41 128.26 28.65 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 95' ' ' ASP . 89.2 Cg_endo -78.3 153.02 27.5 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.754 1.636 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.6 t -75.13 111.04 9.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -117.13 50.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.2 p -94.1 1.25 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -100.1 20.0 15.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -99.65 -120.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.38 151.95 78.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.214 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.52 146.19 34.57 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.758 1.639 . . . . 0.0 111.228 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -141.95 154.96 45.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.54 126.9 21.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -84.81 76.36 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.9 m -111.75 -172.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.4 m -53.12 117.62 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -19.95 49.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.79 141.62 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -171.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.0 mtp -125.58 126.04 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.4 p -136.96 144.5 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.91 143.25 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.95 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.426 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 33.4 p80 -157.61 178.19 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 169.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -130.03 -0.37 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.05 -165.49 38.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -70.02 121.82 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.509 ' H ' ' HA ' ' A' ' 72' ' ' PRO . 66.1 m-20 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.4 p -128.82 0.77 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -73.54 142.33 31.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -171.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.4 p -113.08 -171.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.97 -8.61 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.29 146.28 49.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -137.36 157.52 46.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.45 133.26 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.5 mt -112.04 121.43 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.8 t -92.97 135.21 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -98.96 -30.05 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.05 136.64 26.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -171.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 80.5 Cg_exo -46.48 118.48 2.57 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.703 1.602 . . . . 0.0 111.16 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.4 90.63 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -56.35 -25.84 59.15 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.656 1.571 . . . . 0.0 111.243 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -62.67 -22.74 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.33 -17.3 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.37 128.37 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.74 -8.52 79.18 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -89.9 -42.45 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.09 157.04 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.4 m -90.07 108.56 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.03 132.67 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -127.46 -18.94 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -165.91 -175.3 36.23 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -158.74 130.76 6.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.226 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.26 132.18 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.9 p -115.57 -27.06 7.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.7 m -138.2 148.11 44.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.63 55.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.59 -28.97 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.222 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.61 -33.02 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.85 -45.21 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.51 -44.81 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -77.6 -9.98 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.8 p -113.19 16.0 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.0 mtt -64.96 154.99 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.91 154.28 44.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -67.01 110.33 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 5.91 33.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.81 150.7 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.52 133.18 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 61.7 mtm -88.11 115.22 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 -51.49 64.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -165.75 159.96 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.53 139.93 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.254 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -145.11 150.31 36.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.7 m -128.75 164.42 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.59 153.84 23.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.99 120.01 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -80.22 119.33 76.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.648 1.565 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.08 165.41 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -139.99 148.38 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -130.41 171.66 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.13 159.31 28.05 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -145.33 129.09 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.3 mt -113.09 119.44 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.98 129.84 44.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.6 mmt -98.16 152.61 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 -175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.61 -19.59 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.07 1.52 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 -0.71 59.96 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.64 142.06 43.25 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.13 105.88 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.212 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.81 108.67 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.243 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -107.74 131.9 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 31.6 p90 -146.92 164.34 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -170.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.35 147.26 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.39 149.97 24.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -130.48 83.43 62.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.27 -29.77 48.61 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.753 1.635 . . . . 0.0 111.18 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.44 -28.13 67.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -83.38 -40.84 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.54 88.1 4.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -54.95 -59.8 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.686 1.59 . . . . 0.0 111.218 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.59 -40.11 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.2 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -61.15 -45.48 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.59 -42.46 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.37 85.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -67.16 -37.37 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.46 -51.28 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.12 -46.77 87.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.63 -47.06 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.248 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.33 -48.45 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.07 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.93 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.36 -5.47 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.4 21.01 61.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.49 -55.71 21.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 0.0 111.115 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -73.69 -26.89 60.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -70.02 101.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.86 4.68 56.77 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD21 ' HA2' ' A' ' 57' ' ' GLY . 16.1 tp -72.87 145.31 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -119.58 146.52 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.202 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -90.31 154.57 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 172.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -131.58 -14.91 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 88.0 mmt-85 -139.92 76.63 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.2 t -89.95 124.64 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.188 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.12 92.93 44.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.202 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.02 133.0 55.05 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.743 1.628 . . . . 0.0 111.218 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.25 84.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.1 -84.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.3 140.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.2 p -108.4 134.4 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 47' ' ' ARG . 63.1 tt0 -114.48 130.54 56.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.01 -178.42 16.35 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 137.13 15.53 0.79 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.8 151.91 44.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.29 -22.73 5.61 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.653 1.569 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -123.77 -20.08 5.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.49 21.86 42.6 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -94.52 5.11 52.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.0 -7.33 62.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -96.27 122.28 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.198 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.96 142.52 45.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.23 -70.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.78 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.13 19.41 78.57 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -69.03 149.97 48.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.715 0.293 . . . . 0.0 111.244 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -90.96 124.44 35.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.73 128.84 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.92 152.89 25.18 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.614 1.543 . . . . 0.0 111.288 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.29 123.47 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -118.44 134.08 55.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.6 p -120.76 -11.22 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -110.02 148.95 30.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -98.22 -30.96 12.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 5.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -88.42 150.09 45.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.8 172.0 17.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.709 1.606 . . . . 0.0 111.195 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -117.18 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -174.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -137.59 129.36 28.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -103.36 82.68 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.2 m -125.46 179.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.211 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.3 m -45.76 111.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.87 56.79 2.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.03 146.39 50.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.246 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.65 122.23 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.2 p -135.99 157.05 47.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.5 mmm -95.03 140.04 30.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 176.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.04 133.03 36.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -156.01 179.24 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.82 32.64 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.46 -173.31 21.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -69.98 121.21 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.18 39.58 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.5 p -129.84 3.33 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.94 54.2 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.2 p -121.24 -169.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.3 -9.04 59.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.212 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.78 149.98 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -148.26 159.68 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.23 139.08 48.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.0 mt -116.16 116.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 162.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.1 t -86.01 130.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.215 -167.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -93.98 -37.93 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -141.66 157.84 64.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 173.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 47.0 Cg_exo -45.25 121.05 3.45 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.725 1.617 . . . . 0.0 111.231 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -129.91 97.14 24.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.97 -30.06 76.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.676 1.584 . . . . 0.0 111.205 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.67 -36.87 72.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.96 -22.89 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.8 120.03 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.84 5.15 84.2 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.31 -40.82 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -112.31 169.98 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.1 m -96.48 109.92 22.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.84 133.4 30.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -122.19 -14.72 7.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.09 168.31 36.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -141.72 142.81 33.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.213 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.465 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 87.3 t -77.54 133.63 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -116.08 -24.73 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t -145.01 139.51 27.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.26 53.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.4 mtp -61.13 -35.04 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.193 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.05 -40.79 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.54 -51.96 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -55.66 -40.07 71.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 41.4 p -106.77 40.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -56.0 140.11 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.18 149.93 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 55.9 t-20 -66.68 115.61 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.49 23.28 58.72 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -44.8 132.83 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.43 131.56 62.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.16 147.94 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.12 -48.52 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -157.19 130.0 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.24 129.96 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.34 149.11 45.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.3 138.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -125.16 108.7 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -171.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.88 129.94 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -111.4 154.95 43.54 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 1 C--O 1.0 -11.394 0 C-N-CA 121.743 1.628 . . . . 0.0 111.195 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.32 26.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 47.8 mttm -129.94 155.91 45.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 140.46 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.17 179.52 19.36 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.22 150.01 31.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -116.35 113.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 172.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -89.97 122.21 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 169.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mmm -90.14 151.38 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -59.97 -26.38 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.232 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -92.82 15.07 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.94 74.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 170.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.13 151.64 49.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.03 119.98 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.68 102.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -91.32 138.31 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -144.55 158.92 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -172.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.42 136.68 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 3' ' ' LYS . 84.3 mt -104.52 144.63 31.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.188 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -122.78 95.04 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.03 -30.18 58.36 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.663 1.575 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.7 -36.5 81.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.18 -43.47 67.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.69 93.22 1.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.8 -47.42 26.77 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.663 1.575 . . . . 0.0 111.247 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.15 -47.32 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.3 m -62.83 -44.72 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.25 -45.99 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.27 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.91 85.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.202 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.64 -43.89 88.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.3 -48.59 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.94 -49.96 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.243 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.02 -53.98 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -58.59 -49.73 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.52 83.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -79.43 -3.97 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.63 -0.01 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 172.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.59 20.58 63.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.83 -53.56 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.99 -22.42 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 109.89 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.26 -8.13 30.82 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.83 160.01 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 HG22 ' A' ' 136' ' ' VAL . 34.3 p -120.18 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -170.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.02 96.98 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 167.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -79.81 -14.79 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -165.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -137.72 80.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.16 122.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.7 mt -131.85 86.55 47.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.95 137.63 73.45 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.755 1.637 . . . . 0.0 111.222 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.98 -10.54 70.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.79 -112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.205 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.03 126.7 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -91.5 154.96 18.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.5 137.65 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.3 -175.32 27.13 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 22.02 6.47 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 70.9 m -116.45 132.29 23.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 -174.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 70.1 Cg_exo -56.93 106.43 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.712 1.608 . . . . 0.0 111.158 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 51.18 30.02 5.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.95 37.95 94.89 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.92 7.27 45.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.234 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.25 -76.78 1.91 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -84.19 123.36 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.67 -161.68 26.94 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -136.74 58.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -40.0 74.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 10.89 75.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.91 122.36 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -134.05 113.06 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 pt -129.29 158.0 74.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.43 155.23 36.39 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.737 1.625 . . . . 0.0 111.226 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.1 t -51.54 122.44 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 174.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -95.31 141.32 29.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.16 -15.86 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.6 m-20 -108.48 149.83 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 69.6 m-80 -99.82 -30.2 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 6.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.9 m-20 -91.05 150.55 41.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -174.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 67.7 Cg_exo -54.96 155.07 19.48 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.714 1.609 . . . . 0.0 111.16 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' HB3' ' H ' ' A' ' 117' ' ' VAL . 92.1 m-70 -120.1 70.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.179 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -90.02 133.8 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -83.76 71.75 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -82.84 -178.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -56.62 118.39 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.04 -11.29 69.58 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.67 143.77 29.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.7 mtp -125.89 117.87 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 96.2 p -122.24 153.12 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -175.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.0 tpp -90.25 134.28 34.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.78 122.53 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -134.84 147.67 49.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -120.0 -9.21 9.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.6 -136.64 4.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -82.76 130.53 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 56.41 49.68 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -121.68 -5.05 9.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.44 156.24 48.73 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.6 p -152.36 -128.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.97 -1.91 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -75.31 124.13 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -132.36 161.48 33.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -174.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -110.67 153.79 24.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.1 mt -125.98 111.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 163.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.11 118.5 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -80.05 -58.12 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -112.42 144.38 30.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -54.92 136.99 74.77 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.723 1.615 . . . . 0.0 111.227 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -126.95 90.14 50.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -56.34 -31.34 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.721 1.614 . . . . 0.0 111.218 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -76.24 -9.95 59.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.252 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -98.54 -1.51 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -62.83 108.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.226 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.51 -5.02 70.19 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.1 t -76.62 -49.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -113.37 171.49 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.7 m -94.64 93.82 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 80' ' ' HIS . 96.4 t -62.82 120.67 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 171.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.71 -14.61 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.26 -177.36 23.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -159.13 129.88 6.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.18 134.32 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.9 p -111.45 -23.17 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -158.44 130.95 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.51 19.2 4.64 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.78 -30.63 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -64.52 -44.38 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.36 -38.15 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.22 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.1 -57.11 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -66.07 -23.8 66.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -173.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.1 p -100.16 7.09 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -64.99 139.24 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 135' ' ' ASP . 87.7 tttt -82.29 139.79 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -60.07 118.75 6.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.214 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.68 15.12 57.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 39.9 t0 -56.83 135.06 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.209 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 44' ' ' THR . 59.5 t -92.14 133.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -172.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.9 mtm -83.89 116.57 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.85 -41.9 20.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.47 113.01 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.72 115.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.22 148.57 51.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.01 142.09 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -143.3 170.37 15.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -80.22 137.08 36.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.1 70.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 -176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.392 0 C-N-CA 121.662 1.575 . . . . 0.0 111.144 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.52 159.96 19.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.27 139.17 45.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -152.37 -179.96 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.13 -173.83 40.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -154.33 158.63 40.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.36 111.5 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.9 tp -85.58 114.99 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 99.4 mmm -82.08 156.51 24.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.06 -26.39 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -89.98 0.27 57.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.53 69.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.87 65.01 4.02 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -69.95 128.41 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -120.0 154.42 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -123.58 139.94 53.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -141.16 164.11 31.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.15 156.68 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.61 159.04 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 -174.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -129.81 78.31 75.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.6 -17.6 57.32 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.713 1.608 . . . . 0.0 111.13 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.16 -23.38 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -98.1 -32.95 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.7 79.61 13.45 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -53.66 -52.4 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.64 1.56 . . . . 0.0 111.202 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.16 -49.94 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -173.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.2 m -65.0 -42.69 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -173.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.07 -44.37 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.98 78.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.269 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.45 -32.64 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.72 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 173.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.17 -46.47 85.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.29 -43.76 92.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.93 -49.41 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.8 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.54 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -89.9 5.83 44.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.23 71.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -75.13 -10.42 59.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -111.52 9.3 21.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.263 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -98.36 119.53 37.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.66 5.98 73.85 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.26 166.56 18.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -122.91 165.06 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -86.4 115.35 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -47.57 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -158.6 120.12 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.16 120.3 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.5 mt -116.08 97.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.78 126.6 23.01 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.702 1.602 . . . . 0.0 111.143 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.72 10.9 71.98 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.68 -86.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.177 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 m -146.3 155.72 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -117.05 110.01 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 170.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -97.87 126.89 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.09 50.47 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.15 -129.45 4.79 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 p -162.09 162.97 19.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.06 -31.2 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.723 1.615 . . . . 0.0 111.218 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -76.53 -26.94 55.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.02 14.83 81.45 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -101.98 -4.14 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.59 70.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -115.88 120.97 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.207 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.45 144.44 48.79 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -150.36 40.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 0.0 111.154 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.92 -26.75 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 -5.06 65.53 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -83.52 68.81 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.8 m -82.79 111.88 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 pt -122.76 157.66 59.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -170.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.16 163.09 39.02 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.644 1.562 . . . . 0.0 111.171 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 94.0 m -95.05 145.75 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -100.83 -7.0 24.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -172.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.1 p -79.07 -7.68 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -73.84 -26.85 60.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -117.84 -18.65 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -146.91 77.95 10.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.307 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -52.07 139.72 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.621 1.547 . . . . 0.0 111.22 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -116.66 140.58 49.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -90.06 147.09 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -113.67 105.65 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.85 179.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.267 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.3 m -54.87 118.06 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.07 -22.11 28.04 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 143.52 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.433 ' HG2' HG12 ' A' ' 103' ' ' ILE . 96.0 mtp -115.39 115.13 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.203 173.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -124.45 132.76 53.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.76 144.48 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.274 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.28 154.99 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.189 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -141.24 169.76 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -111.49 29.92 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.34 -175.7 21.01 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.18 131.48 46.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.38 40.81 30.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.245 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 96' ' ' THR . 39.1 m -135.74 49.29 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.96 142.32 25.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.1 p -108.34 -169.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 -176.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.7 p -82.8 -4.2 57.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -89.96 148.55 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -147.52 172.47 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -144.91 150.03 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.253 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 87' ' ' MET . 77.5 mt -107.08 120.86 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.5 t -80.3 132.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -113.23 -26.71 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.271 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -122.5 129.26 25.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.69 131.19 36.69 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.677 1.585 . . . . 0.0 111.201 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -134.67 99.95 12.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.7 -30.93 77.83 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.673 1.582 . . . . 0.0 111.229 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -69.91 -18.83 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.81 -14.84 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -62.36 123.65 18.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.03 82.34 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -94.57 -50.87 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.182 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -109.59 149.51 29.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.6 m -85.25 116.25 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.03 130.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -120.34 -13.06 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -171.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.9 -167.44 33.51 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -159.12 149.95 19.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.1 t -76.95 130.56 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.7 p -113.26 -21.06 11.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 -172.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -147.6 135.54 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.26 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.1 ttp -55.29 -40.02 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.72 -43.21 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.61 -47.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.68 -37.13 77.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.6 p -94.55 16.02 16.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -174.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.6 mtt -66.72 159.93 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -99.92 161.74 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.05 110.3 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.25 14.15 56.33 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -57.72 133.11 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.188 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.7 t -91.34 127.82 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 -168.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.7 mtm -87.05 137.16 32.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 170.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.94 -56.67 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.216 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.68 142.2 36.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.75 119.21 47.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.14 139.89 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.38 133.52 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.0 164.89 34.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.42 138.14 31.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.59 130.07 24.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 1 C--O 1.0 -11.412 0 C-N-CA 121.696 1.597 . . . . 0.0 111.193 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.26 166.21 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.267 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.5 137.1 49.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -137.9 177.22 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.43 -177.46 41.19 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -153.72 157.64 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.8 mt -118.24 110.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.95 115.23 22.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 174.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.0 mmm -82.66 155.41 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.95 -29.76 68.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -87.58 1.99 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.58 7.62 71.67 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.02 63.4 4.4 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -67.4 129.8 41.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.205 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 pt -115.97 153.12 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.07 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -145.96 161.6 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.63 162.32 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt -120.56 157.46 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -127.57 75.6 77.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.97 -19.39 58.0 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.642 1.561 . . . . 0.0 111.189 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.92 -22.8 59.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.229 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -103.67 -31.97 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.7 72.17 36.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.81 -51.18 10.93 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.666 1.578 . . . . 0.0 111.22 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.79 -50.83 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -171.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -42.0 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.85 -45.15 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.68 87.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -63.35 -45.86 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -57.3 -47.99 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.62 -48.47 79.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.27 -50.02 65.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.54 -49.68 72.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.34 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -79.81 0.87 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -106.54 4.26 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.266 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.42 17.17 69.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 172.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.63 -46.27 87.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.0 m-85 -84.24 -7.13 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -70.01 110.05 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.24 -8.9 49.43 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 40' ' ' TYR . 24.7 mt -82.29 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.177 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.4 p -121.23 168.83 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -171.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 73.5 m-85 -94.01 109.78 21.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -69.34 -41.15 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -139.96 91.36 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.58 112.5 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 54.1 mt -123.11 96.85 44.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 58.6 Cg_endo -68.37 139.81 46.57 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.667 1.578 . . . . 0.0 111.126 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.16 4.95 86.19 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -146.16 -96.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.238 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.27 128.82 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -98.17 106.22 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -98.6 132.54 43.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -75.34 167.48 54.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.04 -137.39 9.53 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.24 164.26 18.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.11 -30.85 72.61 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.704 1.602 . . . . 0.0 111.205 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -76.34 -23.61 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.86 80.55 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.04 -10.62 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.52 67.68 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -112.95 112.71 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.703 0.287 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.07 146.87 45.28 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.09 42.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.207 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.94 55.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 -5.24 57.58 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.83 67.24 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -76.93 120.15 21.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.12 155.13 55.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.29 158.27 52.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.718 1.612 . . . . 0.0 111.171 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.0 m -91.76 139.03 31.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.34 -10.69 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.7 p -70.76 -16.26 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.191 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -68.18 -27.69 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -103.85 -30.64 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.29 90.98 3.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -53.18 135.71 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.715 1.61 . . . . 0.0 111.171 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -105.5 138.68 41.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.05 148.77 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -110.07 109.53 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.87 177.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -57.08 121.04 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 -22.56 32.74 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.28 143.23 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.6 ttm -116.59 117.27 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 44.1 t -125.39 135.32 52.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -167.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.0 tpp -76.52 133.17 39.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.39 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.257 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -141.57 169.85 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -112.81 30.16 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.58 -178.2 19.28 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.72 132.43 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.45 36.94 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 96' ' ' THR . 36.8 m -133.09 48.7 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.27 142.75 26.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -109.36 -169.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.135 -177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.37 -15.2 58.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -75.77 143.57 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.69 169.9 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.57 148.84 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.8 mt -104.96 121.15 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.43 132.8 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.53 -32.37 6.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -115.4 128.02 26.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.6 140.42 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.635 1.556 . . . . 0.0 111.289 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -129.34 89.69 46.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -56.98 -31.54 90.19 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.757 1.638 . . . . 0.0 111.225 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -77.38 -9.95 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.23 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.63 2.85 52.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.234 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.31 108.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.72 2.73 81.41 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -87.52 -55.0 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.75 151.06 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.3 m -87.0 108.92 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.5 t -74.04 127.03 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 170.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -126.76 -14.69 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -171.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -152.66 -176.41 25.21 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -159.89 129.92 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.49 129.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 82.7 p -113.75 -20.71 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -148.46 136.12 20.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.04 60.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -56.18 -37.78 70.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.703 0.287 . . . . 0.0 111.111 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.238 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.88 -42.31 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.47 -46.97 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.54 -29.95 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.6 p -96.64 8.11 44.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.215 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.58 156.08 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.54 161.2 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.233 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.93 115.85 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.09 9.5 60.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -59.98 130.17 45.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 111.197 175.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.2 t -90.47 135.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -168.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.9 mtm -88.34 124.65 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -79.52 -43.27 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.84 149.2 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.17 122.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -123.73 140.19 53.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -172.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.5 t -128.13 139.54 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -148.98 168.39 23.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -100.59 147.26 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.25 133.76 10.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 1 C--O 1.0 -11.424 0 C-N-CA 121.676 1.584 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.1 163.11 13.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.62 130.03 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -143.56 134.31 25.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.59 18.68 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -148.53 146.65 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 111.185 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.62 110.11 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -87.39 121.82 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 172.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mmm -90.59 153.82 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.92 -21.61 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -88.69 4.63 46.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.58 4.62 67.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.52 144.95 44.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -128.9 96.39 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.716 0.294 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -94.32 103.63 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.8 128.05 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.2 p90 -144.72 151.11 38.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -107.3 147.74 29.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.9 mt -109.27 158.83 17.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -119.79 82.3 27.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.97 -5.98 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.726 1.617 . . . . 0.0 111.185 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 -16.82 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -107.44 -29.28 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.24 71.31 3.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.23 -31.76 89.94 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.7 1.6 . . . . 0.0 111.128 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.83 -49.17 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -69.86 -36.46 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.253 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.67 -43.88 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.78 94.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -50.63 -63.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.77 -51.85 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.8 -48.66 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.21 -48.22 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.77 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.5 -16.67 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.73 1.62 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.8 70.19 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.99 -56.45 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.729 0.299 . . . . 0.0 111.181 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -68.89 -29.01 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.203 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -57.61 110.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 -22.93 17.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -81.14 168.05 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.0 p -125.31 175.13 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -169.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -98.94 100.15 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.404 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 31.8 p-80 -80.65 -17.64 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -166.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 90.2 mmt-85 -139.61 84.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -94.44 127.22 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -124.92 91.27 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.25 130.82 39.64 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.681 1.588 . . . . 0.0 111.219 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -8.33 67.98 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -129.9 -90.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.212 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.7 133.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -175.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.2 p -102.38 152.81 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -124.25 140.17 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.94 -177.5 34.1 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.84 40.77 9.23 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -119.12 140.68 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.199 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.43 -20.34 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.646 1.564 . . . . 0.0 111.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -101.28 -49.97 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.194 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.99 36.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -107.22 7.12 29.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.01 -22.34 27.74 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.0 p -121.24 -37.47 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.66 -173.74 52.78 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -150.21 42.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.227 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.1 -42.69 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 16.75 80.49 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -75.55 150.01 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.72 0.295 . . . . 0.0 111.238 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 p -127.01 58.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.229 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.59 124.82 89.99 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.212 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.17 149.06 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.688 1.592 . . . . 0.0 111.194 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 87.2 m -102.37 95.02 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.205 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.93 146.81 54.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.2 p -125.02 -9.54 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -106.81 146.57 30.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -84.94 -33.32 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 0.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -169.71 90.26 0.55 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.67 151.22 10.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.686 1.591 . . . . 0.0 111.202 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.07 -171.26 2.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -109.64 151.77 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.81 69.93 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.9 -165.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.8 m -51.23 113.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.252 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.37 -9.61 69.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.08 145.92 34.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.28 116.47 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.233 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 85.2 p -116.65 168.93 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -177.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.9 tpp -114.92 129.84 56.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.31 154.93 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -141.36 166.29 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -120.05 40.02 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -167.99 22.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -69.96 130.0 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 50.54 43.63 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 96' ' ' THR . 38.8 m -139.69 61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.15 152.29 36.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 p -115.6 -163.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.251 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.82 -16.39 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.85 127.04 31.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -134.78 163.82 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -171.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -109.81 153.12 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.7 mt -125.3 109.67 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 158.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.28 134.33 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -100.02 -40.27 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.97 151.3 78.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -49.96 137.23 36.3 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.739 1.626 . . . . 0.0 111.191 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -129.99 98.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.38 -25.51 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.726 1.618 . . . . 0.0 111.215 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.82 -19.55 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.99 110.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.235 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.17 4.79 68.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.81 -50.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -118.47 -179.36 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -109.35 122.72 47.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 84.2 t -80.53 131.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -126.11 -12.43 6.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 -173.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.91 179.04 28.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.33 130.16 7.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 85.3 t -65.06 134.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -116.76 -21.91 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -152.29 145.14 24.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.33 20.4 35.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.51 -33.13 72.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.73 -40.59 95.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.05 -42.42 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.81 -46.45 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.2 p -95.11 14.65 21.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.95 140.94 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -111.2 152.54 26.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.03 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.62 2.91 64.9 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.96 139.43 57.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.36 132.33 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -171.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.3 mtm -81.08 100.66 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.54 -48.91 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -150.12 112.12 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.28 121.48 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -146.97 151.66 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.07 138.98 52.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -136.27 170.12 16.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -96.44 133.71 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -128.96 129.93 23.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 1 C--O 1.0 -11.409 0 C-N-CA 121.701 1.601 . . . . 0.0 111.214 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.9 149.79 49.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -100.06 125.53 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -136.35 129.91 32.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.69 159.1 14.63 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -140.51 128.35 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.315 . . . . 0.0 111.237 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -113.62 115.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp -90.32 119.94 31.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -86.47 154.9 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.49 -4.34 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -96.85 4.82 51.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.44 6.93 70.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.86 136.41 33.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -116.14 94.78 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.69 111.88 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.6 p90 -147.17 151.92 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -175.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.95 154.0 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -110.01 150.98 27.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.225 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.73 77.87 73.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.88 -15.7 49.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.702 1.601 . . . . 0.0 111.248 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.16 -22.85 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.44 -39.97 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.51 86.07 5.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.3 -48.37 22.12 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.736 1.624 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.95 -49.73 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.0 m -61.86 -43.79 98.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.84 -45.32 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.96 85.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.81 -49.14 78.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.24 -49.3 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.59 -50.6 71.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.3 -49.16 78.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.89 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.91 -17.31 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -84.49 -4.12 58.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.68 61.49 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.08 -58.69 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.169 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 43' ' ' LEU . 63.0 m-85 -69.66 -26.62 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -176.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.41 110.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.263 173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.32 -6.04 36.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.5 mt -88.65 163.44 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 p -123.3 170.05 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 75.0 m-85 -94.57 107.67 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 174.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -73.38 -19.5 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.191 -167.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -159.75 91.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -91.34 119.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.19 91.09 47.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.93 130.08 38.72 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.765 1.643 . . . . 0.0 111.173 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.13 68.69 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 53' ' ' VAL . 16.7 t80 -139.97 -93.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 174.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 52' ' ' PHE . 18.4 m -139.99 155.17 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 173.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -111.92 103.0 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -89.87 139.78 30.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -161.35 178.38 37.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.68 20.99 4.81 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -114.45 140.7 25.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.45 -20.23 12.54 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.672 1.581 . . . . 0.0 111.288 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.84 -20.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.291 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.46 28.91 51.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -104.48 6.81 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.44 -5.14 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -112.48 120.46 41.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.96 174.12 53.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -103.27 29.76 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.253 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.2 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.17 -0.8 88.87 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.07 176.31 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.224 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.4 m -92.28 137.86 32.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.2 pt -119.11 156.58 52.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.37 140.72 19.63 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.683 1.589 . . . . 0.0 111.123 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 70.7 m -128.79 141.26 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -104.61 120.49 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -172.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -100.54 -16.15 17.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.259 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.91 150.93 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -100.11 -20.12 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 3.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.23 125.38 86.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -54.78 156.5 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -120.05 100.31 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.19 -29.43 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -169.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.8 m80 55.67 74.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.08 178.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -55.21 119.57 5.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.9 57.85 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.59 147.74 48.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.7 mtp -120.6 126.78 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -136.36 138.11 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -169.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.3 mtp -89.94 145.47 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.29 134.31 34.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -151.89 169.97 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 175.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.86 37.77 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.75 171.86 12.34 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -70.05 133.83 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.218 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 58.76 30.82 20.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.244 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -153.04 78.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.79 -174.72 16.28 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.0 p -119.93 178.45 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 111.213 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 82.3 m -77.85 -7.29 56.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.34 148.79 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -141.74 176.66 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.3 150.0 24.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.76 127.86 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.19 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.0 t -81.89 129.89 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -92.91 -41.62 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -127.08 150.11 71.22 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.67 127.38 25.2 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.685 1.59 . . . . 0.0 111.228 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -136.25 82.99 33.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.272 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.19 -25.28 63.56 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.678 1.585 . . . . 0.0 111.231 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -64.63 -21.09 66.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.83 -11.59 55.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.58 107.37 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.77 57.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.08 -43.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.245 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.01 174.51 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.2 173.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.6 m -119.54 109.89 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.52 133.24 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 169.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.4 -17.78 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.3 -173.21 29.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -157.86 131.61 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 86.1 t -65.48 133.21 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.201 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.3 p -115.93 -21.85 9.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.5 t -151.41 140.04 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.224 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.28 17.19 47.45 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.1 tpt -58.11 -30.79 66.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.204 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.68 -45.45 92.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.24 -41.86 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.03 -48.4 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.61 -30.18 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -98.51 20.95 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 55.0 mtt -64.88 156.01 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -123.43 159.45 28.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -69.78 102.64 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.1 31.18 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.21 146.69 32.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.83 130.71 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -165.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -85.52 103.87 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -47.9 76.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -150.08 112.12 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.84 132.98 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -161.16 152.35 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.6 t -131.48 137.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.78 166.41 16.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -99.93 80.07 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.02 128.27 91.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 1 C--O 1.0 -11.413 0 C-N-CA 121.724 1.616 . . . . 0.0 111.182 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.835 0.35 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.26 162.73 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -145.84 171.34 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -152.52 173.09 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.71 -172.18 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.52 149.88 22.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.52 123.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 tp -92.34 118.28 30.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mmm -89.15 154.24 20.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.23 -19.35 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.213 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -88.32 -1.35 57.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.96 -0.76 64.69 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.41 53.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.61 125.99 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.227 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -119.17 101.39 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.226 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -91.83 135.93 33.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -145.83 152.26 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.209 -173.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.32 160.64 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.06 155.27 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -122.65 77.49 47.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.71 -14.14 32.83 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.786 1.657 . . . . 0.0 111.139 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -90.09 -6.2 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -113.91 -34.76 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.51 71.47 14.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.193 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.05 -30.76 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.714 1.609 . . . . 0.0 111.182 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.08 -17.76 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.229 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -102.87 -44.03 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.9 -40.18 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.01 82.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.253 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -70.06 -37.67 75.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.1 -52.13 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 175.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -57.79 -49.92 74.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.43 -56.98 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.13 -41.83 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.4 56.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.17 -23.9 59.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.45 6.06 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.6 18.65 67.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 166.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.97 -20.77 44.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.252 176.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -100.03 23.9 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.239 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.81 115.73 27.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.3 19.9 47.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.91 145.04 54.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -113.54 143.79 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 49.5 m-85 -81.63 157.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -120.01 -47.71 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -170.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -137.39 89.03 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.07 113.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 84.6 mt -118.12 105.1 47.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.268 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -52.41 123.08 11.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.647 1.565 . . . . 0.0 111.198 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 10.9 64.03 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -139.99 -92.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 111.221 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.23 130.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.213 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.6 p -96.82 74.12 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 102' ' ' PHE . 28.5 tt0 -82.45 125.76 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 -174.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -179.08 -148.77 7.88 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.09 38.09 11.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 52.9 t -108.76 137.27 20.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 92.4 Cg_exo -54.73 -33.32 79.91 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.656 1.571 . . . . 0.0 111.215 -177.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -113.9 -19.75 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -174.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.03 65.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -100.09 4.04 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.71 0.72 83.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -116.01 110.64 19.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.71 110.91 3.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -107.87 15.52 24.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 111.248 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.34 72.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.227 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.11 14.22 59.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -120.05 140.25 51.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.3 m -125.88 138.13 53.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.3 mt -118.62 131.49 24.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -76.65 166.42 27.22 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.726 1.618 . . . . 0.0 111.174 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.6 93.63 7.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -49.93 110.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -103.14 88.34 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -148.04 -147.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.257 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.94 -29.93 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.197 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -50.0 110.48 1.65 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -61.12 -27.6 84.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.684 1.589 . . . . 0.0 111.184 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 55.28 45.2 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -70.66 118.64 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.97 82.77 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.8 m -125.23 -176.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 177.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 m -47.71 116.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.11 -26.98 13.54 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.51 138.41 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 111.222 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.2 ttm -115.55 122.96 47.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.272 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -139.22 144.67 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -167.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.29 155.39 36.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.217 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.9 110.42 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 97' ' ' GLY . 66.0 m-70 -102.97 142.61 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -133.53 49.96 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.95 172.03 13.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -59.42 119.71 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 111.268 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 51.85 30.93 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 96' ' ' THR . 75.5 m -116.34 65.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' HIS . . . -91.82 132.96 11.53 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 173.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -86.83 -170.81 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.5 p -75.56 -9.32 58.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -79.91 150.05 30.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.01 172.95 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.274 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 55' ' ' GLN . 55.1 p90 -148.15 150.59 34.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.176 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.29 133.07 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 173.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.77 130.13 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -93.27 -32.11 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -140.04 152.23 67.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 86.9 Cg_exo -49.56 117.32 2.88 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 121.739 1.626 . . . . 0.0 111.187 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -121.5 101.6 43.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.34 -25.5 65.82 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.682 1.588 . . . . 0.0 111.232 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -82.14 -5.6 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.73 -23.61 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -55.79 112.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.08 5.2 86.12 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.14 -45.2 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 111.198 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -109.09 -170.92 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.5 m -106.98 111.04 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.25 128.54 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -132.05 -14.92 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.71 27.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.25 128.07 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.03 132.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.255 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.2 p -114.91 -22.89 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 t -156.62 140.26 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.87 13.13 57.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.5 tpt -57.7 -29.9 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.232 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.73 -38.65 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.224 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.42 -50.15 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.203 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -75.23 -22.58 57.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 -173.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.3 p -99.21 11.49 38.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -64.44 145.4 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.71 150.14 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -71.16 112.6 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.212 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 117.41 -1.85 18.51 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -58.78 153.69 16.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.0 129.47 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.233 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.6 mtm -83.34 100.0 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -48.8 -46.19 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -168.35 132.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.249 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.88 128.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.187 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.65 140.35 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.75 134.7 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -132.79 149.7 52.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.12 75.14 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.204 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.11 100.06 27.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.667 1.578 . . . . 0.0 111.173 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.61 140.97 33.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.52 149.26 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -159.56 153.51 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.38 140.61 11.86 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -172.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -112.85 136.42 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.54 106.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.01 123.51 32.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 171.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.0 mmm -91.44 153.47 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.0 -20.64 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -94.11 12.09 27.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.63 5.09 67.12 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 172.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.16 157.97 53.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -148.77 100.91 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.143 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.11 117.83 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -112.6 125.23 54.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 43.3 p90 -142.9 151.64 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -174.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.08 161.55 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -120.18 154.73 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.77 75.48 64.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.23 -15.14 45.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.719 1.613 . . . . 0.0 111.202 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.73 -25.97 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.06 -19.72 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.13 72.58 22.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.46 -53.93 5.78 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.65 1.567 . . . . 0.0 111.201 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.67 -49.54 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.235 -171.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -58.17 -49.53 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.186 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.44 -43.37 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.2 73.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.71 -40.94 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.261 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -55.03 -49.8 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.23 -49.93 75.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.52 -41.58 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.98 -50.18 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -79.69 -4.08 50.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -103.32 5.46 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 171.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.42 70.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -70.09 -56.27 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.204 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -73.16 -20.43 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -70.17 86.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.25 15.74 3.01 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 170.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.36 166.77 20.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.184 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 m -112.02 150.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.66 106.57 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.56 -39.85 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.258 -172.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -140.06 89.97 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -78.78 107.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.0 mt -130.35 86.46 53.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.87 140.68 42.86 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.618 . . . . 0.0 111.227 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.35 73.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -134.4 -102.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.9 t -140.29 119.7 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 t -93.41 119.15 32.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -96.94 126.09 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.59 165.01 31.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.53 29.14 2.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.6 m -97.38 140.21 21.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.76 -15.41 13.49 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.663 1.575 . . . . 0.0 111.205 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.45 -5.73 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.31 19.24 79.87 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -99.99 -1.8 36.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 111.177 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.35 3.02 82.24 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -127.15 162.44 26.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 111.187 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.75 162.54 13.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -144.36 -162.53 1.5 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.746 0.308 . . . . 0.0 111.19 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.69 15.84 22.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.21 5.07 76.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -166.33 174.91 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -121.91 160.05 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 pt -127.14 154.5 76.76 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.49 154.4 68.85 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.721 1.614 . . . . 0.0 111.155 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.43 137.64 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -126.73 64.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.6 p -115.69 -19.92 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.98 -41.44 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.72 41.81 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -122.34 100.19 42.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.53 -25.3 75.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.726 1.618 . . . . 0.0 111.158 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.49 138.72 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -119.04 166.52 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -82.63 73.65 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -119.69 -174.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -51.46 117.61 2.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.73 -28.33 11.62 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.41 138.93 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 -170.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 52.8 ttm -119.73 119.92 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 171.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 39.3 t -124.4 133.89 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -168.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.2 tpp -77.16 128.9 35.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.31 151.55 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.165 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -140.02 169.73 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.84 31.44 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.06 -173.41 21.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -59.95 123.35 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 111.272 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 54.72 40.1 31.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.217 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.587 ' O ' HG22 ' A' ' 96' ' ' THR . 47.3 m -132.13 50.95 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 154.91 51.02 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -116.56 -127.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.177 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 17.9 p -133.18 -11.95 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -72.68 155.64 39.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -145.01 156.36 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.26 131.41 55.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -97.09 105.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.206 166.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.88 126.91 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -109.78 -25.44 10.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 175.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -129.11 133.13 24.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 173.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.27 131.16 17.98 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.697 1.598 . . . . 0.0 111.191 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.38 99.9 26.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -173.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.18 -36.04 84.49 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.758 1.639 . . . . 0.0 111.22 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.05 -19.94 64.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.4 mt -113.54 -2.44 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -65.07 104.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.12 5.06 86.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -79.06 -53.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -98.45 -179.83 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 m -100.79 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.4 t -70.74 118.73 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 173.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -124.57 -13.44 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 -170.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.72 179.15 24.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.13 126.93 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.8 t -67.44 129.9 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.1 p -115.19 -20.02 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -155.01 146.74 23.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 23.11 59.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 ptm -67.99 -19.99 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -92.59 4.94 52.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.68 -44.6 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.215 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.02 -31.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.3 p -96.41 -20.82 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 39.0 mmt -71.1 149.97 45.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.227 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -104.59 161.84 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -65.28 134.87 54.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.77 69.65 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.85 147.31 53.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.87 144.24 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 140' ' ' VAL . 62.3 mtt -73.01 148.85 43.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -103.41 -49.49 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -150.02 112.04 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.428 HG21 ' SD ' ' A' ' 137' ' ' MET . 63.7 t -118.15 127.16 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -144.85 149.85 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -129.94 139.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -149.99 163.9 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -100.98 113.98 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -90.12 123.4 65.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 1 C--O 1.0 -11.399 0 C-N-CA 121.755 1.636 . . . . 0.0 111.211 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.774 0.321 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.97 154.97 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.11 178.59 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -137.24 138.73 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.232 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.03 151.88 17.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -126.9 128.24 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.01 117.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 170.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.8 tp -102.64 123.65 46.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mmm -88.87 148.9 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.216 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -64.11 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.05 -11.38 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -4.68 50.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 155.79 50.43 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -130.04 130.02 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.218 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.1 mt -120.54 110.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.224 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -113.54 128.85 56.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 28.0 p90 -144.34 150.39 37.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.203 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.73 153.59 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -110.37 144.85 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.208 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -130.4 82.05 66.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.92 -14.99 48.2 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.672 1.581 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.45 -24.39 61.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.67 -41.74 11.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.42 90.27 4.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.24 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.31 -56.32 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.668 1.578 . . . . 0.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.89 -40.16 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -45.89 85.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.64 -44.36 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.89 78.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.81 -46.59 87.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -56.54 -46.71 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.243 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.27 -49.72 76.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.266 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.9 -41.02 90.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.67 -49.87 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.46 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.256 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.42 5.03 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.28 5.17 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 167.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.58 22.4 69.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.81 -56.45 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -71.02 -21.63 62.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.02 110.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.46 -5.24 35.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.06 151.67 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.18 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -113.91 166.67 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.01 106.04 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 172.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -77.75 -16.82 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -148.8 76.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.53 120.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.15 96.08 29.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.63 139.87 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.662 1.574 . . . . 0.0 111.215 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.93 -11.89 70.15 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -131.82 -91.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.179 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.82 129.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -93.14 126.79 38.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.29 130.94 53.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.9 -176.33 26.16 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.57 23.53 4.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 72.1 m -110.62 127.99 26.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 67.8 Cg_exo -58.94 -34.22 99.03 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.675 1.583 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.5 -18.91 12.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.88 23.42 61.89 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -100.05 5.17 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 111.198 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.81 3.19 74.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -116.07 118.36 32.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 111.203 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.57 177.26 52.58 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -143.22 80.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.28 155.01 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.41 30.88 9.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -119.9 143.67 47.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -120.65 159.99 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.5 100.01 52.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.39 144.48 96.34 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.722 1.614 . . . . 0.0 111.176 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.4 t -72.5 102.38 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.86 142.9 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.1 p -125.07 -23.7 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -109.96 149.91 29.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -97.45 -30.0 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 3.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -97.28 150.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.31 175.16 11.67 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.705 1.603 . . . . 0.0 111.207 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -106.27 141.19 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.92 96.28 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 -176.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -73.95 71.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.2 m -106.58 -173.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -53.55 117.18 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -22.82 37.89 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.11 139.42 52.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.226 -170.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.6 mtp -123.28 130.36 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.5 p -136.63 164.6 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 69.3 mtp -114.54 143.97 44.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.19 135.08 47.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -149.99 165.54 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -138.62 27.93 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.89 -171.27 21.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.55 133.91 52.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 53.27 30.12 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.5 m -142.17 119.89 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.221 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.42 -161.49 32.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.0 p -142.2 -179.88 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.4 p -83.58 -9.81 58.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.22 147.46 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.63 170.02 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -173.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -126.94 144.02 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.6 mt -119.31 111.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 167.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.13 139.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -170.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.49 -40.19 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.191 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -131.18 158.68 74.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.238 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.6 Cg_exo -49.83 119.49 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.642 1.561 . . . . 0.0 111.168 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.424 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 96.9 mm-40 -121.28 89.03 46.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 177.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 108' ' ' GLN . 52.7 Cg_endo -65.07 -20.0 63.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.655 1.57 . . . . 0.0 111.286 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.0 mt -106.42 0.75 25.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -65.66 100.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.26 -4.84 65.04 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.95 -44.23 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -117.78 169.86 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.9 m -97.92 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.2 132.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -128.08 -16.65 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.24 -177.89 33.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -158.38 129.28 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.515 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 88.8 t -64.63 130.94 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.6 p -118.57 -18.82 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.8 t -145.01 142.95 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.264 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.19 15.46 51.33 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.05 -30.1 68.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 111.172 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -57.04 -33.81 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.0 t -79.84 -46.0 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 -43.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -78.28 -10.0 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -115.48 17.64 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 96.7 mtp -67.82 155.37 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.83 152.4 47.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -65.11 127.04 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.78 -4.99 42.8 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -59.6 145.07 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.266 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.3 p -123.6 140.31 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.199 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -81.76 104.86 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.89 -43.61 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -161.21 153.85 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 173.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.81 129.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.34 160.95 37.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.2 t -134.85 133.48 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.09 151.42 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -76.25 77.29 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -123.51 91.32 49.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.414 0 C-N-CA 121.689 1.592 . . . . 0.0 111.214 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.13 144.89 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.52 144.54 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -135.55 164.76 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.63 160.29 23.73 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -143.06 130.66 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -117.34 111.1 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 tp -90.63 129.91 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 168.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.8 mtt -101.12 154.42 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -60.0 -27.9 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.7 4.89 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.32 -0.89 62.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.66 138.5 44.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.85 96.37 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.257 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -100.65 124.66 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.55 133.16 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 40.7 p90 -144.09 158.23 43.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -173.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.03 155.68 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -113.19 146.87 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.229 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -129.93 83.6 63.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 -174.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.53 -30.33 53.85 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.73 1.62 . . . . 0.0 111.173 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.4 -32.26 72.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.12 -40.31 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.05 87.83 5.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.15 -51.7 9.56 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.683 1.589 . . . . 0.0 111.215 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.37 -41.81 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 m -60.87 -46.56 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.5 -44.96 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.0 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -68.54 -40.73 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -60.32 -47.16 87.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -56.76 -48.71 77.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -50.87 -53.39 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.16 -50.55 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.84 92.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.203 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -83.65 4.49 28.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -107.65 6.13 27.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 168.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.04 20.92 72.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.03 -56.48 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.7 m-85 -74.01 -23.8 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -61.38 110.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.08 -10.0 36.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.2 mt -85.56 166.39 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.259 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -119.63 -169.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -105.16 153.42 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -92.54 -80.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -99.69 107.42 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.3 t -102.3 123.91 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.9 90.08 43.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -62.46 129.87 28.14 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.703 1.602 . . . . 0.0 111.224 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.87 5.04 78.15 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -132.63 -86.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.251 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.26 130.08 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -118.98 147.08 44.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -110.69 135.31 51.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 164.05 40.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.23 -148.37 19.8 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 31.0 p -151.75 157.92 34.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.225 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 55.6 Cg_endo -69.29 -20.28 37.25 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.173 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -73.49 -28.52 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.222 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.95 15.38 81.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.84 -10.26 21.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -4.98 68.27 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -104.43 110.83 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.213 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.63 138.32 48.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -150.32 96.66 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.139 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.04 -2.73 58.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.24 71.74 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -168.06 178.95 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -119.37 158.49 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.96 115.55 40.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.69 137.16 42.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.713 1.609 . . . . 0.0 111.259 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.4 t -73.58 123.45 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.26 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -104.47 4.65 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.5 m -64.19 -36.9 85.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.02 -33.33 73.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.18 -32.82 59.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -144.58 90.0 6.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.01 143.11 74.79 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -157.69 179.86 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -172.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -126.87 146.49 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.21 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.68 80.3 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.69 -164.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -51.83 116.43 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.31 -11.39 68.98 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 136.99 47.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.7 ttm -120.23 118.78 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 94.8 p -125.33 151.02 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -172.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.3 tpp -89.87 133.27 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.269 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.38 130.31 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.497 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 31.0 p80 -159.35 -177.46 6.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 171.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.42 31.94 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.35 -168.44 23.79 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.98 119.8 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 111.227 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.0 t0 69.91 41.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 p -130.62 26.51 5.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.231 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -75.48 154.32 45.61 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -171.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -117.04 -171.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 174.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.9 p -81.06 -10.1 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.262 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -85.65 149.49 25.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -148.94 154.01 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -101.63 127.25 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.1 mt -96.99 110.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 168.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.39 124.7 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -95.01 -50.0 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -106.56 150.15 39.23 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.2 130.47 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.585 1.524 . . . . 0.0 111.237 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.98 90.09 43.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.25 53.86 4.7 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.678 1.585 . . . . 0.0 111.182 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.71 -23.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.5 2.66 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.92 110.51 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.97 -8.28 70.23 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.52 -40.61 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -127.12 179.17 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -123.71 109.67 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.282 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 70.9 t -67.49 130.14 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 175.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -128.36 -11.88 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -150.96 -176.73 24.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -158.56 127.45 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 111.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.487 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 90.2 t -67.47 133.28 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.6 p -117.68 -21.9 8.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.6 t -147.99 148.53 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.94 15.37 52.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.8 mtp -61.41 -28.56 69.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.219 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.29 -28.42 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.43 -43.0 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 176.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.77 -47.35 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -68.81 -11.13 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.8 p -118.64 19.67 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.5 ttm -58.06 132.91 54.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -80.11 154.45 28.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -66.98 107.77 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 31.01 55.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -50.08 120.12 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.61 122.85 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.5 mtm -85.6 113.37 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.07 -40.76 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -170.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -152.35 109.58 3.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.85 129.81 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.04 159.5 43.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -129.75 139.79 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -142.85 172.57 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -116.05 124.17 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -132.77 130.96 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 1 C--O 1.001 -11.351 0 C-N-CA 121.732 1.621 . . . . 0.0 111.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -130.46 156.07 45.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -153.49 -179.98 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.35 -167.02 34.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -150.94 149.82 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.145 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.2 mt -109.17 101.86 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 tp -79.87 120.47 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.4 mmm -90.04 147.73 23.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.55 5.34 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.99 58.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.52 170.65 53.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -157.49 127.81 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.44 105.34 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -88.32 132.42 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -139.65 161.37 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -123.21 150.12 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.08 153.12 26.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -127.19 92.46 43.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.14 -28.84 53.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.697 1.598 . . . . 0.0 111.174 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.12 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.81 -43.21 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.32 93.39 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.225 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.71 -46.73 31.15 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.741 1.627 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -47.4 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.4 m -62.72 -46.65 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.08 -48.2 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.0 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.02 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.85 -44.16 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.19 -46.99 87.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.56 -42.62 88.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.32 -50.1 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.252 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.8 83.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.228 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -77.75 -5.14 49.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 -174.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -99.14 3.54 46.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.08 18.41 80.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.76 -41.77 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.15 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' HA ' HD22 ' A' ' 43' ' ' LEU . 70.6 m-85 -85.6 0.15 53.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -171.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -69.95 102.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.23 -1.6 31.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 40' ' ' TYR . 11.1 mp -87.07 142.12 28.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 111.198 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -114.53 165.45 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -170.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -91.96 99.01 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 168.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -81.74 -14.2 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -168.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -134.86 80.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.49 130.15 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -121.78 96.66 46.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.95 122.28 11.4 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.735 1.624 . . . . 0.0 111.212 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.79 -16.3 58.72 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -128.99 -128.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.237 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.87 120.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.1 m -105.95 148.52 27.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -123.82 135.46 53.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.68 176.11 26.69 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.25 24.41 1.45 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -109.98 113.26 57.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.38 102.65 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.736 1.624 . . . . 0.0 111.181 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 50.04 31.27 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.97 59.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -96.13 13.21 28.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.241 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.11 -97.55 2.34 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -115.26 119.7 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.197 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.32 40.65 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -77.34 73.35 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.43 -44.02 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.44 14.82 70.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -124.83 122.81 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -128.68 129.99 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.14 158.52 63.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -87.21 179.47 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.705 1.603 . . . . 0.0 111.177 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.08 109.7 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 170.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -100.4 144.76 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.6 p -129.07 -11.87 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.1 m-20 -109.18 149.99 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.8 m-80 -99.56 -22.18 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 6.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -98.79 150.14 36.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.01 139.19 70.71 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -110.23 60.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.63 148.53 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -92.9 72.11 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.86 -171.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -54.32 111.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.57 -10.02 66.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.73 144.91 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.208 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.42 122.26 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 97.3 p -124.73 153.76 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.0 tpp -90.03 130.37 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 132.12 46.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -160.58 -178.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.85 -4.62 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.55 -146.39 12.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -75.49 129.51 37.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 57.64 55.28 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.1 p -138.22 -8.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.19 165.09 43.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 91.7 p -150.04 -119.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.73 0.3 . . . . 0.0 111.239 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -128.51 -8.12 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.185 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -78.52 141.49 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -145.28 164.97 29.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -171.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.84 154.98 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.27 119.8 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 163.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.73 122.91 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.57 -51.41 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 39.3 tp10 -106.05 130.98 22.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.23 173.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 87.1 Cg_exo -51.17 137.89 45.42 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.723 1.615 . . . . 0.0 111.25 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -128.08 97.01 30.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.17 -32.94 89.06 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.76 1.64 . . . . 0.0 111.159 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -77.53 -9.11 58.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.257 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.78 -5.6 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.61 112.75 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.95 82.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.56 -42.61 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.74 168.15 11.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.0 m -89.67 101.18 13.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.226 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.8 t -70.26 130.02 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -132.67 -15.74 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.2 179.94 25.59 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -158.35 129.38 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.205 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.0 134.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 78.1 p -114.75 -21.53 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.7 t -157.44 141.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.91 11.2 60.54 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.44 -29.01 61.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -54.46 -31.94 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.06 -36.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.0 -48.04 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.216 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.7 ttp-105 -58.48 -38.38 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 p -97.05 10.08 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.2 ttm -69.71 142.55 53.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.04 150.12 21.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -60.83 115.78 3.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.67 19.08 49.78 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -57.44 134.1 55.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.25 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.9 132.76 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.8 mtm -83.76 126.1 32.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.95 -47.56 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -148.79 108.16 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.8 119.36 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.67 148.36 51.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.5 t -134.96 139.2 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -144.66 165.04 29.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.04 139.91 36.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -159.98 73.85 3.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 1 C--O 1.0 -11.386 0 C-N-CA 121.613 1.542 . . . . 0.0 111.232 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.05 129.98 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.234 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.22 176.49 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.02 -176.68 41.06 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -149.93 157.26 42.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.27 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.7 mt -118.51 111.26 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 tp -90.7 120.13 31.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.2 mmm -92.6 153.31 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.22 -25.01 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -94.55 12.78 26.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.87 10.59 78.58 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 64.87 4.1 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.26 116.43 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.41 156.23 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.278 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -118.72 148.55 42.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -145.07 165.08 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.45 153.26 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.74 156.92 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -129.28 80.04 73.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -66.88 -16.1 48.95 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.624 1.549 . . . . 0.0 111.201 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -82.54 -9.49 59.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -108.04 -37.36 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.17 78.62 16.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.98 -48.62 21.16 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.681 1.587 . . . . 0.0 111.179 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.24 -50.92 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 -171.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.8 m -62.19 -42.47 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.87 -44.82 99.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.42 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.54 -43.28 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -56.1 -48.93 75.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.62 -45.57 91.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.51 -45.27 89.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.71 -46.65 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.84 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.93 -4.98 54.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.29 22.74 72.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -51.19 -43.73 61.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.327 . . . . 0.0 111.202 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -82.26 -16.85 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -171.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -70.05 103.55 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.04 -14.29 31.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.91 163.94 21.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 p -120.9 166.84 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 28.3 m-85 -80.86 124.18 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -54.95 -54.84 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -159.97 129.76 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.2 114.98 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.78 104.59 56.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.19 130.86 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.176 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.59 79.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -141.24 -92.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.1 t -144.07 138.54 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -109.22 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -105.39 130.08 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -79.87 160.54 44.98 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.06 -148.46 24.22 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 30.4 p -154.83 164.54 20.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -169.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 89.3 Cg_exo -54.93 -35.41 89.37 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.654 1.57 . . . . 0.0 111.15 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.1 -36.26 83.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.85 84.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -173.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -101.46 -3.62 28.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.09 4.82 77.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -117.25 112.98 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.99 145.23 44.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -153.22 44.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 -18.68 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.6 -2.46 58.85 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.33 69.03 7.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 m -103.58 121.99 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.195 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.416 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 46.7 pt -130.02 159.35 70.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 178.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 71' ' ' ILE . 94.5 Cg_endo -71.94 163.61 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.748 1.632 . . . . 0.0 111.176 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.71 136.76 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -89.76 -6.09 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.2 p -69.03 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.36 -35.52 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.83 -27.19 11.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -143.56 83.33 10.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -51.05 130.79 32.96 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.683 1.589 . . . . 0.0 111.224 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.77 141.77 43.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -102.69 144.67 30.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -109.8 108.03 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.32 -178.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -54.96 118.51 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.44 -19.3 42.78 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.94 143.43 56.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -171.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.3 mtp -118.76 127.85 53.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -141.11 142.78 34.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 38.5 ttm -68.77 135.78 51.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.92 150.34 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -129.18 146.21 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -99.86 7.48 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.14 -174.43 36.9 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -59.45 120.06 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 53.04 33.92 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -126.35 68.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.38 159.68 47.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.5 p -118.81 -178.07 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 111.146 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.47 2.56 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -90.26 144.02 26.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -130.09 156.59 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -138.25 151.04 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.99 123.72 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.19 135.04 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.6 -31.32 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.79 149.19 72.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.49 134.42 39.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.716 1.61 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -125.12 87.67 55.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.03 -31.94 66.48 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.712 1.608 . . . . 0.0 111.195 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -71.24 -24.13 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.63 -9.57 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.68 125.09 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 4.92 85.5 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.6 t -102.62 -48.39 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -109.87 160.3 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -96.47 110.43 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.95 134.89 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 -15.31 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -171.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.21 -167.2 30.33 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -159.71 149.57 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 111.262 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.67 130.21 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 -18.85 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -171.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.7 p -136.93 146.43 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 67.32 34.92 86.75 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 75.7 mtm -59.79 -39.1 83.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.82 -39.08 93.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.81 -43.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.87 -44.1 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.02 -35.75 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.7 p -96.37 17.11 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.66 160.01 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.62 159.17 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -68.77 110.55 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.59 12.76 57.88 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -60.02 132.71 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.209 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.1 t -88.37 129.17 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 -167.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.0 mtm -85.48 123.01 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -89.75 -40.28 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.261 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -157.65 136.14 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.6 t -128.14 120.59 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 170.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -127.27 133.55 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -172.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -118.42 139.9 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.05 165.74 28.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.01 149.98 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -125.31 129.97 24.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.67 1.58 . . . . 0.0 111.197 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -89.92 139.95 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.3 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -149.07 167.02 27.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.33 165.63 25.7 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -140.02 119.91 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.181 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 96.6 mt -92.03 125.62 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.1 tp -111.16 120.09 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mmm -90.36 153.99 20.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.51 -27.52 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -92.84 16.95 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.64 12.54 69.12 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.63 136.98 36.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -124.46 95.21 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -175.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 78.3 mt -115.77 105.13 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -175.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -103.63 134.2 47.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -142.99 158.98 43.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -104.58 157.96 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.68 147.48 33.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.75 83.1 58.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -66.49 -14.56 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -67.54 -29.1 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' ASN . 99.3 mt-10 -78.94 -36.97 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.11 93.67 1.02 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.46 -47.04 29.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.621 . . . . 0.0 111.17 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.43 -44.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.5 m -64.12 -48.47 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.32 -40.4 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.08 78.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -61.69 -42.7 99.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.232 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.08 -50.92 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.74 -46.3 90.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -44.03 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.89 -45.92 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.54 94.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.51 -29.94 70.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.96 -4.71 58.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 3.31 58.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -67.17 -30.02 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.159 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.97 30.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 139' ' ' GLU . 93.5 m-20 -119.98 50.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.62 61.18 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.71 159.61 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.5 m -114.22 148.26 37.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 51.3 m-85 -97.07 97.8 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.84 -43.08 59.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -170.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -120.18 80.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.36 123.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt -119.43 97.3 50.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.239 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 127.85 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.227 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.27 -8.94 67.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 -66.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.233 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.6 p -170.8 140.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -171.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -99.25 106.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 170.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -92.23 119.73 32.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.6 177.87 42.34 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -174.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.85 24.43 2.8 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.9 t -100.0 129.46 28.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.204 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.99 -16.27 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.705 1.603 . . . . 0.0 111.182 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -98.5 -23.91 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.48 15.21 81.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -99.69 -0.46 40.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.226 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.4 -4.97 62.44 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -116.38 103.96 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 111.227 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.75 155.06 53.22 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -145.37 99.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.221 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.31 -14.1 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.6 -8.42 74.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -162.9 167.43 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -89.71 132.55 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.9 mt -97.48 125.45 45.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -56.88 144.7 87.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.696 1.597 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.3 t -95.79 97.99 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -89.53 120.04 30.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.1 p -99.2 -5.01 30.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -108.01 147.54 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -99.09 -38.39 8.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 6.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB2' ' HA ' ' A' ' 23' ' ' GLU . 99.1 m-20 -80.04 153.54 74.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 170.45 20.16 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.662 1.575 . . . . 0.0 111.153 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.55 67.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -82.11 144.51 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -101.2 94.82 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -104.02 -171.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.7 m -55.66 109.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.42 -3.36 68.85 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.08 140.29 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.0 mtp -119.63 127.99 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.3 p -137.64 153.64 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.7 mmm -88.25 139.02 30.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.29 130.29 37.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -157.19 177.19 11.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.22 33.32 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.195 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.51 -169.65 21.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.01 121.86 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.189 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 t0 69.88 47.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -138.7 0.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.85 152.08 48.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 p -119.46 -178.16 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 174.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.0 p -69.63 -18.98 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -63.29 142.64 58.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -147.63 171.72 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.27 138.67 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.06 106.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 164.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.96 138.59 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -173.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -90.65 -95.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.88 155.76 90.35 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 164.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.37 141.31 72.34 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.733 1.622 . . . . 0.0 111.169 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -126.86 87.98 55.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.76 -31.29 91.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.701 1.601 . . . . 0.0 111.188 -175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.42 -9.94 59.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -172.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.55 -4.89 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -60.86 106.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.37 -5.01 67.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -77.34 -47.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.77 169.07 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.0 m -95.59 101.36 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.38 130.32 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -126.18 -17.81 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.35 -173.91 27.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -159.95 129.9 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.269 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.9 130.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.9 p -115.12 -20.59 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -147.01 140.07 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.83 22.23 26.37 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.24 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.84 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.49 -41.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.92 -52.25 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.64 -29.81 67.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.6 p -96.02 13.27 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.222 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -61.23 144.66 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.39 149.95 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.99 110.05 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.244 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.1 7.57 52.23 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.27 130.3 46.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.136 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -94.92 132.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -173.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.0 ttp -88.53 136.04 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.03 -52.05 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 41' ' ' ASN . 25.2 pt-20 -166.92 162.71 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.2 t -130.0 132.5 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.75 154.5 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.02 131.24 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -129.93 160.37 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -122.08 137.59 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -131.17 129.73 22.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.001 -11.344 0 C-N-CA 121.646 1.564 . . . . 0.0 111.205 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.87 150.34 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.33 131.92 38.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.49 -175.0 14.71 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -153.99 147.08 24.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.249 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -106.39 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 165.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.44 122.53 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 mtt -95.07 152.7 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.02 -20.37 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.264 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.69 1.38 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.07 7.74 69.87 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.38 63.87 4.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.22 126.25 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 111.19 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -116.3 116.02 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.85 135.34 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.32 161.02 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.248 -169.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -120.24 141.32 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.42 154.01 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.85 80.53 25.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.47 -14.89 43.93 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.613 . . . . 0.0 111.199 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -69.85 -29.48 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.64 -35.45 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.94 79.04 23.58 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.32 -48.83 19.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.691 1.594 . . . . 0.0 111.186 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.98 -51.37 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.1 m -63.39 -44.6 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.23 -43.23 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.1 85.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.42 -49.2 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.93 -46.09 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.59 -50.07 71.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.52 -49.7 76.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.59 -49.76 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.59 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.85 -23.11 60.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.62 1.97 39.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.99 63.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.64 -58.13 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -70.12 -26.47 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -61.82 110.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.53 32.06 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.26 168.99 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -124.97 174.29 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.4 96.51 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.04 90.09 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.84 129.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.5 mt -122.23 94.29 48.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.64 128.97 32.52 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.654 1.569 . . . . 0.0 111.223 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.21 67.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -130.01 -96.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.202 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.98 177.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -146.58 146.0 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -124.69 134.72 52.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.95 -173.81 25.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.55 18.01 55.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.91 121.65 72.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.41 -21.93 7.21 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.714 1.609 . . . . 0.0 111.208 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -85.44 -32.8 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.08 6.69 89.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -110.13 6.7 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -12.94 67.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -103.9 134.14 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.75 168.87 54.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -133.77 59.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.707 0.289 . . . . 0.0 111.201 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.43 167.65 28.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.99 92.16 0.14 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.21 149.56 25.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.8 m -87.44 103.21 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mm -112.53 101.16 52.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.08 143.07 94.01 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.731 1.621 . . . . 0.0 111.18 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.11 64.13 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.88 122.83 24.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.225 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -118.86 -21.53 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -61.35 108.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.231 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.0 t30 57.81 41.25 25.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -147.14 74.96 11.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.68 140.51 90.71 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.712 1.608 . . . . 0.0 111.212 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.42 51.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.42 131.57 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -100.14 76.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.1 m -112.65 -178.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.9 m -53.53 118.05 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.01 -7.42 67.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 129.66 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 60.8 ttm -116.88 123.75 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -132.26 155.42 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.4 tpp -94.87 133.49 38.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.82 144.97 52.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -155.73 165.19 37.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.07 38.65 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.66 -177.63 16.96 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -69.22 139.95 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.768 0.318 . . . . 0.0 111.179 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 58.08 34.89 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -149.38 69.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.16 161.36 15.59 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.5 p -117.73 -173.08 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 111.225 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.8 p -90.58 -0.45 57.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.87 149.95 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.05 159.26 42.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.6 144.69 40.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 115.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 165.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.3 t -81.75 139.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -98.22 -40.35 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -136.22 153.83 76.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.0 Cg_exo -52.66 121.94 10.04 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.69 1.593 . . . . 0.0 111.172 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -126.07 94.01 42.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -56.01 -32.77 87.38 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.679 1.586 . . . . 0.0 111.188 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -79.17 -9.84 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.49 -2.7 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.46 133.73 51.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.27 5.03 89.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.3 t -81.97 -49.67 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -110.77 169.9 8.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.0 m -89.73 99.45 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.0 t -78.16 129.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.275 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -138.61 -13.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.08 155.16 22.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -139.97 121.01 14.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.76 134.48 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.6 p -116.18 -21.76 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 t -148.41 140.19 23.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.51 35.25 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -172.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.6 mtp -64.61 -26.31 68.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.08 -41.2 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 172.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.71 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.36 -51.37 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 174.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -50.62 -49.66 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.2 p -112.15 50.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 95.3 mtp -65.12 146.71 54.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 173.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -91.42 133.52 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -66.19 121.96 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.28 10.45 77.66 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 135.88 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.192 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.88 129.19 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -175.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 75.6 mtm -80.74 100.09 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.23 -45.97 90.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -152.11 113.81 4.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.93 115.34 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -129.98 149.94 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.3 t -135.27 127.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.93 132.48 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.33 133.25 45.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.64 149.43 48.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.25 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 1 C--O 1.0 -11.411 0 C-N-CA 121.697 1.598 . . . . 0.0 111.196 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -140.0 150.05 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -144.77 138.04 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.71 -176.38 17.69 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -154.91 151.46 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.7 111.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 169.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -89.25 125.66 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -88.04 160.24 17.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.42 -16.22 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -88.69 0.36 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.182 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.22 4.57 71.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 104.18 2.0 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.94 114.82 26.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.18 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.03 119.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.63 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -144.95 157.44 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.36 145.47 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.53 155.95 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.1 75.67 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.15 -19.07 45.33 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.751 1.634 . . . . 0.0 111.178 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -69.29 -28.75 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -99.97 -32.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.13 75.63 53.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.13 -57.18 2.15 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.66 1.573 . . . . 0.0 111.209 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.45 -50.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -170.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.6 m -60.15 -49.72 76.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.76 -41.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.44 88.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.9 -42.29 94.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.03 -50.94 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.0 -43.86 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.3 -49.78 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -58.48 -46.8 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.95 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -67.16 -31.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -81.74 1.14 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 23.06 75.79 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.06 -57.79 7.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.03 -27.19 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.217 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -61.66 110.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.79 30.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.3 mt -88.59 173.58 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 p -128.93 174.02 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -170.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 68.3 m-85 -99.79 96.22 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 166.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -71.05 -32.27 68.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -119.32 76.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 -172.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 74.5 t -101.32 119.67 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.89 101.11 53.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.34 132.75 54.06 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.691 1.594 . . . . 0.0 111.238 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.15 8.7 87.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -133.43 -77.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.315 . . . . 0.0 111.169 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.77 139.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.229 -172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -117.25 100.62 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -96.56 134.09 40.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -159.55 -166.27 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.74 13.76 64.32 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.2 t -77.61 125.67 85.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.184 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.22 -20.98 14.05 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.69 1.593 . . . . 0.0 111.236 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -90.33 -25.46 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.82 15.98 80.6 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -102.9 -1.49 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.83 -20.0 52.35 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -130.57 121.1 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.41 -171.09 45.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -135.44 88.29 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.241 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.65 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.31 82.78 0.19 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -97.76 143.17 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -86.31 94.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.248 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -122.45 107.69 34.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.01 156.24 65.92 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.756 1.637 . . . . 0.0 111.108 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.2 t -63.05 99.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.74 82.4 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -103.79 -2.57 26.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.15 100.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.186 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 55.24 38.22 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -173.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -148.75 77.45 9.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.04 129.38 32.87 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.656 1.57 . . . . 0.0 111.215 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -86.68 58.3 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -80.81 117.99 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -101.15 86.48 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.0 m -125.69 -174.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -49.94 117.9 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.98 -17.57 52.06 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 141.55 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.179 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mtp -115.32 127.15 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -139.21 139.23 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 101' ' ' PHE . 99.6 mmm -81.6 148.43 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.7 104.69 6.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -119.93 149.84 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.01 41.83 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.0 178.88 18.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -64.84 147.38 53.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 53.44 29.97 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -150.5 81.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.94 155.36 16.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 p -106.24 -177.64 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 0.0 111.214 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.22 -1.2 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.4 150.0 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' HB3' ' SD ' ' A' ' 89' ' ' MET . 32.2 p90 -138.64 170.1 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.24 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -148.98 148.2 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.7 mt -109.64 131.34 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.42 135.13 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.251 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -97.67 -37.55 9.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -133.5 157.22 78.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.0 Cg_exo -51.35 121.65 8.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 121.693 1.595 . . . . 0.0 111.188 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -127.87 90.0 49.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.96 -30.3 68.55 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.678 1.586 . . . . 0.0 111.244 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.04 -18.77 59.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -91.85 -15.74 27.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.58 126.57 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 3.73 90.29 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.6 t -87.48 -49.58 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -115.26 171.72 7.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.215 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.6 m -94.33 109.75 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.09 133.34 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 172.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.67 -15.93 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -168.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.15 -176.79 33.64 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -156.95 133.59 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -71.93 137.66 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.234 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.1 p -116.69 -29.44 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.7 t -143.23 128.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.11 10.68 64.06 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.54 -42.58 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 111.233 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.0 -40.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.22 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.67 -43.62 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -58.73 -36.18 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.3 p -113.99 28.6 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.49 149.9 45.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.249 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.98 149.84 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 62.7 t30 -70.17 131.14 43.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.19 16.48 62.67 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.98 130.01 44.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.122 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.23 128.98 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 -172.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -83.77 100.9 11.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.73 -45.53 92.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -152.18 112.7 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.8 t -109.06 117.12 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -129.87 142.04 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.3 t -134.77 127.76 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 173.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -120.97 138.01 54.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -175.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -76.62 129.98 37.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.72 149.96 75.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.0 -11.387 0 C-N-CA 121.697 1.598 . . . . 0.0 111.241 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.932 0.396 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' HB2' ' A' ' 19' ' ' LEU . 17.2 ptpt -149.08 163.62 37.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -129.8 175.65 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.03 172.19 33.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -146.82 128.88 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 111.157 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 94.9 mt -102.0 114.21 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 173.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -90.82 120.25 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.2 mmm -89.98 152.42 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -60.26 -25.72 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -90.4 9.43 29.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.81 10.48 69.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 138.66 39.73 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -118.65 93.31 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.144 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 71.9 mt -108.69 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -175.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -101.52 132.01 47.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.55 159.52 41.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.271 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -108.3 156.03 19.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' A' ' 3' ' ' LYS . 97.3 mt -115.73 154.88 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -123.3 78.59 53.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.56 -14.95 40.8 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.634 1.556 . . . . 0.0 111.229 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -87.42 -9.79 53.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.1 -29.99 7.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.92 75.47 24.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.43 -53.92 5.81 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.714 1.609 . . . . 0.0 111.171 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.48 -48.34 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -61.57 -47.67 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -41.51 91.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.257 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.99 -49.94 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.69 -50.0 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -56.0 -56.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.51 -42.97 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.74 76.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -71.56 -21.68 61.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -81.35 -7.9 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.79 14.85 56.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -79.99 -17.81 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -102.1 17.76 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -103.73 113.07 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.21 11.31 39.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 mt -81.29 153.36 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 m -112.98 147.44 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 72.3 m-85 -88.8 104.73 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 169.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -86.2 -20.92 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -166.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -141.79 87.09 2.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -98.91 122.55 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 96.88 49.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -54.99 127.21 25.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.729 1.62 . . . . 0.0 111.215 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.41 -2.05 70.32 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -129.94 -71.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.365 . . . . 0.0 111.209 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -165.44 135.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -171.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.17 100.6 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 171.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -89.98 129.23 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.79 -150.93 6.91 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.87 23.7 68.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -102.83 121.91 47.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.219 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -61.53 -37.22 72.01 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.213 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -91.28 -18.05 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.195 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.89 75.14 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -121.73 8.09 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.152 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.43 -3.74 72.47 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -91.57 114.24 26.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 111.217 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.03 108.72 2.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.87 41.81 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.52 -24.15 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.6 72.41 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -130.8 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 p -133.6 160.22 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.59 109.98 35.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.59 144.92 72.64 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.732 1.621 . . . . 0.0 111.161 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.3 t -62.1 102.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -77.32 129.48 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.6 m -127.48 119.19 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.71 -150.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -27.36 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -59.88 119.52 41.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.98 -29.08 81.25 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.717 1.611 . . . . 0.0 111.211 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 62.63 61.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -79.39 138.47 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -113.21 92.06 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.1 m -122.29 -170.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -54.0 117.2 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' SD ' ' A' ' 125' ' ' MET . . . 100.96 -18.85 54.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.07 127.99 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.3 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.5 mtp -103.38 118.58 37.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -136.91 140.05 42.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.1 mmm -78.69 153.93 30.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 -175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.33 140.18 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -154.34 173.45 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.35 44.38 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.18 168.33 11.34 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.16 139.67 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.261 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 51.59 31.65 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -149.96 75.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.39 -177.5 15.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 p -119.88 -176.03 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.3 p -80.07 -8.4 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -71.58 153.08 42.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -150.03 -179.15 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.08 149.65 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.5 121.74 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.3 140.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.249 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -95.31 -36.28 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -136.75 155.87 76.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 82.0 Cg_exo -49.55 121.23 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.7 1.6 . . . . 0.0 111.234 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -125.85 92.74 45.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -54.62 -29.27 60.02 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.187 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.92 -16.89 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.81 -13.49 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.68 116.76 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.04 2.26 86.13 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -86.88 -49.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 111.193 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.59 169.57 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -91.21 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.6 t -89.01 133.87 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -132.97 -17.84 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.85 -176.82 30.34 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -160.0 129.88 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.2 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.65 131.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.6 p -118.81 -23.7 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -144.79 136.66 25.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.13 63.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.403 ' SD ' ' HA2' ' A' ' 85' ' ' GLY . 14.6 tpt -55.77 -30.03 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 111.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.9 -40.14 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.04 -34.74 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.38 -45.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.73 -33.15 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 82.0 p -100.99 15.61 28.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.8 ttm -62.44 148.68 44.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.71 150.13 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.11 123.4 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.23 -5.16 31.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.35 140.13 58.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.23 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.44 138.69 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.4 mtm -79.97 100.01 7.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.46 -43.15 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -159.98 120.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 73.6 t -111.06 120.15 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -126.49 149.98 49.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.3 134.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.18 148.08 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.68 82.9 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -116.95 93.99 43.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 1 C--O 1.0 -11.402 0 C-N-CA 121.662 1.575 . . . . 0.0 111.289 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -122.75 147.02 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.202 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.22 168.66 19.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.56 160.69 28.88 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -148.77 129.94 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 111.193 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -114.22 119.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.188 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -97.27 129.97 44.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mmt -99.34 154.7 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.67 -21.27 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -90.05 9.02 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.2 2.51 70.92 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.99 141.51 43.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.97 107.64 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -114.72 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -109.08 132.73 53.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.0 p90 -149.22 165.07 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -171.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -108.55 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -113.53 141.26 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -127.61 88.47 53.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -170.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -54.13 -29.45 55.99 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.681 1.587 . . . . 0.0 111.22 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.18 -29.63 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.57 -39.9 21.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.83 90.58 2.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -55.64 -60.75 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.732 1.622 . . . . 0.0 111.2 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.22 -40.48 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.3 m -58.88 -48.85 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.245 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 -42.47 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.95 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.08 -49.69 73.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.62 -44.96 96.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.75 -50.16 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.77 -43.54 98.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.55 -32.74 74.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.33 -7.45 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.86 20.19 66.07 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.49 -50.9 56.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 111.243 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -71.56 -22.66 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -69.95 101.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.18 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.26 -3.93 47.8 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.11 146.62 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.2 p -120.64 160.39 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.98 172.3 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 168.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -142.76 -24.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -139.94 79.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.272 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.3 t -89.78 129.19 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mt -127.14 91.09 47.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.222 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.25 130.06 38.15 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.722 1.614 . . . . 0.0 111.185 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.73 -6.95 70.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -129.79 -87.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -160.08 134.02 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 p -99.97 132.26 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -112.69 128.66 56.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.227 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.58 -174.89 17.24 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.53 33.41 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -122.96 153.18 63.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.23 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.32 -24.1 8.19 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.734 1.623 . . . . 0.0 111.191 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.91 -0.0 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 31.35 56.72 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.96 4.69 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.33 4.99 85.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -124.23 130.04 51.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.194 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.78 157.74 51.78 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.95 0.0 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.67 -53.04 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.91 18.21 80.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -100.1 159.97 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.7 m -110.52 119.77 40.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.8 mt -107.55 128.53 25.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.12 144.67 38.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.174 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.18 121.02 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -108.8 138.68 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -12.63 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -110.09 150.03 29.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -100.0 -34.26 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 5.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -80.09 150.03 70.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.29 161.65 45.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.603 . . . . 0.0 111.083 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -107.51 115.59 30.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.189 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -112.47 140.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HD1' ' HA ' ' A' ' 112' ' ' ASP . 55.7 m80 -115.6 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.9 m -131.12 178.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.7 m -44.84 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.38 58.91 1.79 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 149.47 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.291 . . . . 0.0 111.232 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.63 121.63 29.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.162 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' HG22 ' A' ' 117' ' ' VAL . 96.2 p -135.04 160.12 39.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.6 mmm -97.0 143.66 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.27 138.17 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -152.64 171.32 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.75 36.13 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.71 -170.47 21.59 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -72.98 130.07 39.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 60.33 41.62 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.9 p -130.0 2.85 4.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 139.03 37.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.3 p -112.41 -176.7 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.21 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.0 -5.4 55.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.242 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.85 146.81 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -145.33 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -168.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.85 138.35 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.239 173.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.6 116.53 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 165.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.22 131.12 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -166.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -97.67 -38.18 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.234 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -135.52 159.84 70.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.1 Cg_exo -49.7 127.15 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.734 1.622 . . . . 0.0 111.218 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -132.41 89.98 35.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.266 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -52.91 -30.02 46.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.731 1.621 . . . . 0.0 111.182 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -56.81 -39.99 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -99.1 -19.2 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HD1' ' A' ' 82' ' ' HIS . 10.3 t70 -61.34 119.54 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.91 4.59 87.01 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.35 -50.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -101.94 154.89 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -76.37 109.92 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 88' ' ' SER . 91.6 t -79.04 137.31 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -131.97 -20.46 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -142.81 165.39 26.89 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -145.57 127.69 15.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.0 t -71.71 132.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.5 p -118.02 -28.47 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -147.45 141.28 25.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.214 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.79 10.76 59.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 11.2 tpt -46.62 -40.08 12.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.204 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.44 -49.65 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.163 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -40.44 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.66 -50.0 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -67.7 -36.42 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.5 p -95.06 20.75 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.209 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.3 ttm -57.48 141.21 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.98 149.79 21.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.484 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 61.2 t30 -65.06 128.21 34.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 15.87 65.92 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -43.76 131.23 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.03 127.82 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.1 mtt -73.39 146.38 45.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -104.12 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.234 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -159.19 129.97 5.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.42 130.05 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.18 152.13 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.49 154.07 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 170.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.06 126.51 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -170.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -96.67 109.86 22.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -96.65 151.61 38.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 1 C--O 1.0 -11.404 0 C-N-CA 121.649 1.566 . . . . 0.0 111.201 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.346 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -130.14 174.09 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.9 164.41 29.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.5 164.02 29.35 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -142.78 129.12 19.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.7 mt -114.17 115.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 tp -90.92 123.86 34.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.7 mmm -90.0 156.53 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -60.28 -25.54 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -87.4 4.89 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.43 8.03 66.53 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.01 136.04 37.66 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.42 96.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.69 113.17 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -115.72 130.14 56.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.242 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -141.07 159.19 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -100.85 158.46 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.59 140.15 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -121.9 81.08 42.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.268 -169.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.21 -6.98 20.16 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.65 1.567 . . . . 0.0 111.157 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -68.13 -29.93 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.12 -27.2 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.4 72.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.96 -24.21 39.81 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.64 1.56 . . . . 0.0 111.161 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.71 -48.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -65.01 -43.85 91.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -39.76 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -67.7 -37.22 81.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -56.98 -52.7 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.65 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.97 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.11 -43.99 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.75 90.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -82.63 -0.55 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.85 -4.58 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 17.16 53.54 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 173.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -80.07 -35.12 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.157 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.13 -9.97 29.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -77.82 79.79 4.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 29.75 0.77 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 153.89 42.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.4 m -117.63 119.94 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.1 101.17 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.42 -13.09 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.39 87.07 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.1 t -108.67 111.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 76.1 mt -121.37 105.72 38.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.42 128.57 29.8 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.3 -22.77 39.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -108.7 -102.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.94 160.09 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -176.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.0 m -110.44 113.88 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -103.59 127.1 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.37 -178.55 45.54 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.64 -170.97 39.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 47.8 t -97.86 138.53 21.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 111.269 177.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 86.4 Cg_exo -53.03 -30.5 49.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.651 1.568 . . . . 0.0 111.226 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.86 5.02 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.65 19.98 77.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.85 -30.06 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.226 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.54 -12.3 68.99 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -129.97 131.34 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.94 117.02 0.94 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -129.16 60.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 111.161 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.44 154.04 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.89 40.97 2.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -160.02 176.17 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.8 m -129.99 127.98 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.18 121.29 27.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.36 145.08 47.28 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.663 1.576 . . . . 0.0 111.164 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.5 t -67.98 126.93 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.71 109.93 10.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.0 p -128.05 -9.98 5.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.265 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.18 -2.3 40.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -109.89 -168.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -49.39 142.77 10.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -51.54 139.03 47.86 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.745 1.63 . . . . 0.0 111.198 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -110.04 77.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.74 140.02 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -99.45 80.11 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.8 m -117.09 179.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.6 m -48.96 112.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.96 -31.13 7.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.54 138.93 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.4 ttp -122.36 124.34 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -126.52 144.44 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -167.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.0 tpp -90.09 129.86 36.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.06 142.17 50.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -103.79 120.06 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 58.9 ttp180 -79.97 67.97 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.59 179.66 28.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.06 121.02 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 53.52 46.91 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.5 m -141.67 72.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.55 137.15 49.93 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.2 p -98.12 -160.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.19 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.12 -11.95 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.05 130.92 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -135.38 168.87 18.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.13 152.59 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.22 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.3 mt -108.92 133.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.263 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -88.73 129.72 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -170.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.68 -47.96 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -137.5 158.9 71.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.256 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 68.7 Cg_exo -47.9 124.57 10.17 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.674 1.583 . . . . 0.0 111.221 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -119.3 94.89 48.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.244 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -55.85 -30.85 78.71 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -80.02 -9.9 59.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.25 -21.44 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -59.91 106.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.11 -5.08 52.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.44 -46.96 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.8 177.19 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.6 m -108.54 112.31 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.33 128.16 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 172.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -128.88 -15.68 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.03 178.22 22.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -158.13 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 111.221 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.2 130.45 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.2 p -113.33 -20.91 11.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -146.35 140.05 26.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 174.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.13 18.93 41.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.3 tpt -54.78 -41.53 70.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.76 -49.85 74.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.62 -50.08 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.96 -47.53 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -69.99 -19.95 63.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.7 p -102.79 17.77 23.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.247 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.7 mtt -64.03 159.88 19.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.35 160.17 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -65.32 110.07 2.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.39 9.65 38.06 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -63.87 129.04 38.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.3 139.95 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.5 mtt -73.4 154.96 39.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -114.08 -48.65 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -149.9 117.04 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.06 122.74 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -137.57 142.48 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.2 t -124.1 137.58 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.56 154.38 48.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.256 -174.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.5 80.72 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.34 90.07 33.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 1 C--O 0.999 -11.452 0 C-N-CA 121.712 1.608 . . . . 0.0 111.204 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -129.5 152.13 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -134.94 173.51 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 173.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.25 179.29 40.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -151.14 148.44 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 111.244 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.16 103.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 53.2 tp -80.59 120.36 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 174.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mmm -90.02 145.22 25.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.62 -27.05 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.63 18.63 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.01 60.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 167.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.77 54.66 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -161.39 110.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.204 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.51 114.23 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.68 131.08 45.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -140.2 159.75 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -172.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -105.95 160.2 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.49 154.31 32.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -130.06 82.82 65.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.82 -32.94 79.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.654 1.569 . . . . 0.0 111.186 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.12 -31.96 71.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -78.27 -40.04 38.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.52 85.15 6.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -54.62 -59.56 0.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.675 1.583 . . . . 0.0 111.155 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.84 -41.93 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -47.91 83.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.74 -46.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -50.15 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.253 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.41 -44.85 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.05 -47.05 78.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.235 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.88 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.55 -42.61 88.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.22 -50.75 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -45.3 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -80.47 -3.53 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -99.94 5.19 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 19.79 77.51 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.1 -56.03 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -68.39 -24.97 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.52 109.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -5.76 33.03 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -89.99 160.01 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.4 p -119.8 166.09 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.2 99.92 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -80.18 -15.39 57.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.19 80.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.52 124.66 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mt -130.84 88.45 46.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.24 136.74 61.78 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.697 1.598 . . . . 0.0 111.253 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.46 83.79 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.71 -111.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.33 123.16 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -94.9 154.8 17.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -134.98 137.58 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.1 26.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 113.9 22.79 5.2 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 99.3 m -119.03 133.66 23.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 73.9 Cg_exo -56.61 100.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.73 1.62 . . . . 0.0 111.15 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 52.88 29.95 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.4 32.72 84.47 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -86.58 -13.57 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.187 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.91 -61.1 4.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.5 m -70.16 84.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 111.186 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.48 177.53 54.09 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -129.69 60.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.76 91.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.05 80.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.9 137.63 54.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -140.69 107.97 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.9 pt -130.03 159.41 70.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.35 157.09 25.75 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.612 . . . . 0.0 111.204 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.04 110.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.05 140.03 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.4 p -121.92 -13.1 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.3 m-20 -109.97 150.05 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.269 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.7 m-80 -99.37 -23.45 15.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 5.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -100.03 150.13 36.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -171.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.17 155.68 18.71 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.716 1.61 . . . . 0.0 111.252 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.34 67.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.202 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -87.32 147.48 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -98.85 75.9 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.87 -175.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.5 m -52.58 111.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.48 -10.68 65.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.58 144.96 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.5 mtp -126.19 122.17 34.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.201 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -126.71 166.18 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.5 ttm -109.78 134.71 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.04 127.75 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -135.32 155.05 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.224 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -130.0 9.93 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.62 -131.67 4.27 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.27 138.09 36.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 58.25 54.96 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.3 p -132.16 -10.06 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.0 154.95 49.34 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.8 p -151.71 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.5 p -134.71 -2.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -74.49 120.44 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -131.28 165.74 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.211 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -115.64 153.45 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 69.5 mt -125.39 112.36 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 162.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -80.68 125.65 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -91.57 -48.74 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -119.91 146.89 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -52.72 137.88 59.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.245 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -129.89 97.41 23.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -57.16 -32.18 92.68 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.659 1.572 . . . . 0.0 111.202 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -69.76 -19.0 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -171.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.32 -4.45 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -63.65 107.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.02 -4.94 68.29 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.61 -46.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.186 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.27 170.87 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.5 m -94.34 108.68 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.27 129.92 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -126.47 -15.94 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -155.27 -176.02 26.98 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -159.89 127.74 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.186 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.32 134.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -116.45 -21.98 8.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.4 t -154.47 140.25 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.256 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.83 6.97 57.91 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.9 -28.66 57.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 111.198 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.8 -30.14 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.201 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.04 -39.59 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.68 -43.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.97 -40.01 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.0 p -105.73 15.08 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.4 ttm -70.02 135.57 49.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.67 140.88 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -59.48 109.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 172.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.79 19.96 41.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.03 134.0 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.7 t -85.57 130.12 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.8 mtm -81.27 99.99 8.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.189 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.74 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . 80.5 tt0 -150.08 110.17 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.87 117.39 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -129.79 149.21 51.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.22 141.9 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -145.57 164.88 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.43 140.34 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -159.89 79.87 2.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.258 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.725 1.617 . . . . 0.0 111.163 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -101.46 135.3 43.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.18 164.63 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 142' ' ' VAL . . . -158.05 172.73 35.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -158.3 159.95 36.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 tt -144.17 134.17 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.42 140.01 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.4 mtp -93.83 161.08 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -70.85 -10.81 60.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -85.52 -0.05 53.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.12 66.47 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 152.35 39.58 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.97 122.49 26.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.71 117.12 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -111.16 129.98 55.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -138.39 157.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 -171.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -103.18 155.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.04 152.62 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.28 79.16 73.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.92 -31.65 74.56 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.658 1.572 . . . . 0.0 111.208 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.72 -30.58 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.82 -41.67 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB1' ' HB ' ' A' ' 27' ' ' THR . . . -143.54 85.22 9.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.14 -59.76 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.655 1.57 . . . . 0.0 111.164 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -72.31 -37.84 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.407 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.1 m -58.54 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.84 -42.53 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.35 69.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.251 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.3 -45.22 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.8 -43.65 90.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.21 -40.09 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -47.51 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.8 -48.89 78.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.33 95.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -66.87 -29.9 69.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -81.39 -5.01 57.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.06 24.58 71.23 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.64 -42.28 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 43' ' ' LEU . 98.8 m-85 -83.37 -3.49 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -173.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.93 101.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.38 -5.04 29.84 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' TYR . 33.4 mt -80.06 170.86 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.17 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -128.2 169.61 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.52 149.51 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.05 -42.2 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -174.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -154.77 86.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.184 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.38 129.27 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.63 95.07 43.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.06 118.72 5.29 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.161 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.41 -13.1 56.96 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -134.68 -167.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.224 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.97 139.09 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -121.08 139.67 53.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -107.88 129.97 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.2 173.84 27.2 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.58 36.13 1.95 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m -119.26 146.41 40.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 111.28 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.91 -21.25 11.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.18 0.02 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 25.84 74.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -96.82 1.91 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.22 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.19 78.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -126.22 119.96 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.13 161.13 50.49 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -129.99 20.36 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 111.153 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.43 -50.48 31.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.86 -7.81 73.64 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -75.26 155.34 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -121.43 118.33 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.206 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.41 128.26 28.65 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 95' ' ' ASP . 89.2 Cg_endo -78.3 153.02 27.5 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.754 1.636 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.6 t -75.13 111.04 9.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -117.13 50.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.2 p -94.1 1.25 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -100.1 20.0 15.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -99.65 -120.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.38 151.95 78.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.214 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.52 146.19 34.57 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.758 1.639 . . . . 0.0 111.228 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -141.95 154.96 45.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.54 126.9 21.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -84.81 76.36 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.9 m -111.75 -172.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.4 m -53.12 117.62 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -19.95 49.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.79 141.62 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -171.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.0 mtp -125.58 126.04 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.4 p -136.96 144.5 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.91 143.25 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.95 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.426 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 33.4 p80 -157.61 178.19 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 169.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -130.03 -0.37 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.05 -165.49 38.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -70.02 121.82 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.509 ' H ' ' HA ' ' A' ' 72' ' ' PRO . 66.1 m-20 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.4 p -128.82 0.77 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -73.54 142.33 31.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -171.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.4 p -113.08 -171.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.97 -8.61 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.29 146.28 49.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -137.36 157.52 46.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.45 133.26 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.5 mt -112.04 121.43 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.8 t -92.97 135.21 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -98.96 -30.05 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.05 136.64 26.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -171.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 80.5 Cg_exo -46.48 118.48 2.57 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.703 1.602 . . . . 0.0 111.16 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.4 90.63 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -56.35 -25.84 59.15 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.656 1.571 . . . . 0.0 111.243 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -62.67 -22.74 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.33 -17.3 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.37 128.37 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.74 -8.52 79.18 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -89.9 -42.45 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.09 157.04 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.4 m -90.07 108.56 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.03 132.67 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -127.46 -18.94 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -165.91 -175.3 36.23 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -158.74 130.76 6.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.226 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.26 132.18 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.9 p -115.57 -27.06 7.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.7 m -138.2 148.11 44.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.63 55.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.59 -28.97 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.222 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.61 -33.02 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.85 -45.21 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.51 -44.81 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -77.6 -9.98 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.8 p -113.19 16.0 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.0 mtt -64.96 154.99 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.91 154.28 44.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -67.01 110.33 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 5.91 33.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.81 150.7 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.52 133.18 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 61.7 mtm -88.11 115.22 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 -51.49 64.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -165.75 159.96 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.53 139.93 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.254 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -145.11 150.31 36.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.7 m -128.75 164.42 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.59 153.84 23.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.99 120.01 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -80.22 119.33 76.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.648 1.565 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -139.99 148.38 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -130.41 171.66 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.13 159.31 28.05 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -145.33 129.09 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.3 mt -113.09 119.44 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.98 129.84 44.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.6 mmt -98.16 152.61 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 -175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.61 -19.59 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.07 1.52 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 -0.71 59.96 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.64 142.06 43.25 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.13 105.88 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.212 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.81 108.67 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.243 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -107.74 131.9 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 31.6 p90 -146.92 164.34 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -170.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.35 147.26 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.39 149.97 24.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -130.48 83.43 62.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.27 -29.77 48.61 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.753 1.635 . . . . 0.0 111.18 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.44 -28.13 67.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -83.38 -40.84 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.54 88.1 4.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -54.95 -59.8 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.686 1.59 . . . . 0.0 111.218 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.59 -40.11 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.2 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -61.15 -45.48 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.59 -42.46 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.37 85.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -67.16 -37.37 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.46 -51.28 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.12 -46.77 87.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.63 -47.06 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.248 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.33 -48.45 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.07 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.93 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.36 -5.47 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.4 21.01 61.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.49 -55.71 21.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 0.0 111.115 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -73.69 -26.89 60.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -70.02 101.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.86 4.68 56.77 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD21 ' HA2' ' A' ' 57' ' ' GLY . 16.1 tp -72.87 145.31 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -119.58 146.52 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.202 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -90.31 154.57 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 172.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -131.58 -14.91 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 88.0 mmt-85 -139.92 76.63 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.2 t -89.95 124.64 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.188 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.12 92.93 44.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.202 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.02 133.0 55.05 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.743 1.628 . . . . 0.0 111.218 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.25 84.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.1 -84.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.3 140.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.2 p -108.4 134.4 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 47' ' ' ARG . 63.1 tt0 -114.48 130.54 56.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.01 -178.42 16.35 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 137.13 15.53 0.79 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.8 151.91 44.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.29 -22.73 5.61 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.653 1.569 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -123.77 -20.08 5.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.49 21.86 42.6 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -94.52 5.11 52.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.0 -7.33 62.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -96.27 122.28 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.198 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.96 142.52 45.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.23 -70.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.78 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.13 19.41 78.57 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -69.03 149.97 48.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.715 0.293 . . . . 0.0 111.244 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -90.96 124.44 35.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.73 128.84 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.92 152.89 25.18 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.614 1.543 . . . . 0.0 111.288 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.29 123.47 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -118.44 134.08 55.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.6 p -120.76 -11.22 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -110.02 148.95 30.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -98.22 -30.96 12.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 5.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -88.42 150.09 45.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.8 172.0 17.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.709 1.606 . . . . 0.0 111.195 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -117.18 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -174.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -137.59 129.36 28.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -103.36 82.68 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.2 m -125.46 179.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.211 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.3 m -45.76 111.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.87 56.79 2.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.03 146.39 50.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.246 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.65 122.23 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.2 p -135.99 157.05 47.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.5 mmm -95.03 140.04 30.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 176.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.04 133.03 36.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -156.01 179.24 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.82 32.64 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.46 -173.31 21.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -69.98 121.21 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.18 39.58 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.5 p -129.84 3.33 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.94 54.2 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.2 p -121.24 -169.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.3 -9.04 59.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.212 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.78 149.98 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -148.26 159.68 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.23 139.08 48.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.0 mt -116.16 116.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 162.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.1 t -86.01 130.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.215 -167.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -93.98 -37.93 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -141.66 157.84 64.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 173.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 47.0 Cg_exo -45.25 121.05 3.45 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.725 1.617 . . . . 0.0 111.231 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -129.91 97.14 24.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.97 -30.06 76.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.676 1.584 . . . . 0.0 111.205 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.67 -36.87 72.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.96 -22.89 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.8 120.03 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.84 5.15 84.2 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.31 -40.82 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -112.31 169.98 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.1 m -96.48 109.92 22.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.84 133.4 30.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -122.19 -14.72 7.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.09 168.31 36.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -141.72 142.81 33.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.213 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.465 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 87.3 t -77.54 133.63 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -116.08 -24.73 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t -145.01 139.51 27.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.26 53.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.4 mtp -61.13 -35.04 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.193 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.05 -40.79 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.54 -51.96 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -55.66 -40.07 71.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 41.4 p -106.77 40.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -56.0 140.11 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.18 149.93 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 55.9 t-20 -66.68 115.61 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.49 23.28 58.72 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -44.8 132.83 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.43 131.56 62.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.16 147.94 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.12 -48.52 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -157.19 130.0 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.24 129.96 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.34 149.11 45.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.3 138.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -125.16 108.7 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -171.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.88 129.94 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -111.4 154.95 43.54 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 1 C--O 1.0 -11.394 0 C-N-CA 121.743 1.628 . . . . 0.0 111.195 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 47.8 mttm -129.94 155.91 45.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 140.46 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.17 179.52 19.36 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.22 150.01 31.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -116.35 113.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 172.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -89.97 122.21 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 169.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mmm -90.14 151.38 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -59.97 -26.38 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.232 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -92.82 15.07 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.94 74.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 170.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.13 151.64 49.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.03 119.98 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.68 102.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -91.32 138.31 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -144.55 158.92 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -172.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.42 136.68 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 3' ' ' LYS . 84.3 mt -104.52 144.63 31.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.188 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -122.78 95.04 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.03 -30.18 58.36 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.663 1.575 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.7 -36.5 81.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.18 -43.47 67.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.69 93.22 1.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.8 -47.42 26.77 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.663 1.575 . . . . 0.0 111.247 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.15 -47.32 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.3 m -62.83 -44.72 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.25 -45.99 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.27 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.91 85.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.202 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.64 -43.89 88.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.3 -48.59 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.94 -49.96 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.243 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.02 -53.98 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -58.59 -49.73 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.52 83.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -79.43 -3.97 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.63 -0.01 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 172.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.59 20.58 63.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.83 -53.56 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.99 -22.42 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 109.89 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.26 -8.13 30.82 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.83 160.01 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 HG22 ' A' ' 136' ' ' VAL . 34.3 p -120.18 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -170.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.02 96.98 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 167.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -79.81 -14.79 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -165.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -137.72 80.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.16 122.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.7 mt -131.85 86.55 47.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.95 137.63 73.45 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.755 1.637 . . . . 0.0 111.222 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.98 -10.54 70.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.79 -112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.205 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.03 126.7 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -91.5 154.96 18.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.5 137.65 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.3 -175.32 27.13 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 22.02 6.47 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 70.9 m -116.45 132.29 23.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 -174.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 70.1 Cg_exo -56.93 106.43 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.712 1.608 . . . . 0.0 111.158 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 51.18 30.02 5.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.95 37.95 94.89 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.92 7.27 45.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.234 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.25 -76.78 1.91 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -84.19 123.36 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.67 -161.68 26.94 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -136.74 58.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -40.0 74.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 10.89 75.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.91 122.36 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -134.05 113.06 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 pt -129.29 158.0 74.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.43 155.23 36.39 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.737 1.625 . . . . 0.0 111.226 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.1 t -51.54 122.44 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 174.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -95.31 141.32 29.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.16 -15.86 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.6 m-20 -108.48 149.83 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 69.6 m-80 -99.82 -30.2 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 6.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.9 m-20 -91.05 150.55 41.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -174.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 67.7 Cg_exo -54.96 155.07 19.48 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.714 1.609 . . . . 0.0 111.16 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' HB3' ' H ' ' A' ' 117' ' ' VAL . 92.1 m-70 -120.1 70.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.179 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -90.02 133.8 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -83.76 71.75 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -82.84 -178.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -56.62 118.39 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.04 -11.29 69.58 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.67 143.77 29.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.7 mtp -125.89 117.87 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 96.2 p -122.24 153.12 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -175.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.0 tpp -90.25 134.28 34.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.78 122.53 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -134.84 147.67 49.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -120.0 -9.21 9.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.6 -136.64 4.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -82.76 130.53 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 56.41 49.68 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -121.68 -5.05 9.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.44 156.24 48.73 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.6 p -152.36 -128.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.97 -1.91 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -75.31 124.13 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -132.36 161.48 33.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -174.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -110.67 153.79 24.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.1 mt -125.98 111.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 163.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.11 118.5 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -80.05 -58.12 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -112.42 144.38 30.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -54.92 136.99 74.77 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.723 1.615 . . . . 0.0 111.227 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -126.95 90.14 50.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -56.34 -31.34 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.721 1.614 . . . . 0.0 111.218 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -76.24 -9.95 59.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.252 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -98.54 -1.51 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -62.83 108.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.226 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.51 -5.02 70.19 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.1 t -76.62 -49.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -113.37 171.49 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.7 m -94.64 93.82 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 80' ' ' HIS . 96.4 t -62.82 120.67 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 171.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.71 -14.61 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.26 -177.36 23.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -159.13 129.88 6.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.18 134.32 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.9 p -111.45 -23.17 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -158.44 130.95 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.51 19.2 4.64 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.78 -30.63 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -64.52 -44.38 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.36 -38.15 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.22 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.1 -57.11 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -66.07 -23.8 66.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -173.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.1 p -100.16 7.09 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -64.99 139.24 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 135' ' ' ASP . 87.7 tttt -82.29 139.79 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -60.07 118.75 6.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.214 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.68 15.12 57.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 39.9 t0 -56.83 135.06 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.209 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 44' ' ' THR . 59.5 t -92.14 133.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -172.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.9 mtm -83.89 116.57 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.85 -41.9 20.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.47 113.01 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.72 115.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.22 148.57 51.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.01 142.09 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -143.3 170.37 15.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -80.22 137.08 36.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.1 70.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 -176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.392 0 C-N-CA 121.662 1.575 . . . . 0.0 111.144 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.27 139.17 45.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -152.37 -179.96 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.13 -173.83 40.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -154.33 158.63 40.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.36 111.5 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.9 tp -85.58 114.99 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 99.4 mmm -82.08 156.51 24.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.06 -26.39 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -89.98 0.27 57.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.53 69.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.87 65.01 4.02 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -69.95 128.41 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -120.0 154.42 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -123.58 139.94 53.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -141.16 164.11 31.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.15 156.68 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.61 159.04 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 -174.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -129.81 78.31 75.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.6 -17.6 57.32 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.713 1.608 . . . . 0.0 111.13 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.16 -23.38 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -98.1 -32.95 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.7 79.61 13.45 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -53.66 -52.4 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.64 1.56 . . . . 0.0 111.202 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.16 -49.94 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -173.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.2 m -65.0 -42.69 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -173.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.07 -44.37 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.98 78.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.269 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.45 -32.64 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.72 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 173.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.17 -46.47 85.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.29 -43.76 92.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.93 -49.41 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.8 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.54 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -89.9 5.83 44.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.23 71.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -75.13 -10.42 59.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -111.52 9.3 21.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.263 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -98.36 119.53 37.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.66 5.98 73.85 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.26 166.56 18.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -122.91 165.06 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -86.4 115.35 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -47.57 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -158.6 120.12 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.16 120.3 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.5 mt -116.08 97.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.78 126.6 23.01 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.702 1.602 . . . . 0.0 111.143 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.72 10.9 71.98 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.68 -86.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.177 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 m -146.3 155.72 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -117.05 110.01 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 170.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -97.87 126.89 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.09 50.47 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.15 -129.45 4.79 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 p -162.09 162.97 19.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.06 -31.2 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.723 1.615 . . . . 0.0 111.218 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -76.53 -26.94 55.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.02 14.83 81.45 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -101.98 -4.14 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.59 70.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -115.88 120.97 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.207 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.45 144.44 48.79 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -150.36 40.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 0.0 111.154 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.92 -26.75 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 -5.06 65.53 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -83.52 68.81 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.8 m -82.79 111.88 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 pt -122.76 157.66 59.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -170.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.16 163.09 39.02 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.644 1.562 . . . . 0.0 111.171 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 94.0 m -95.05 145.75 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -100.83 -7.0 24.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -172.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.1 p -79.07 -7.68 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -73.84 -26.85 60.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -117.84 -18.65 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -146.91 77.95 10.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.307 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -52.07 139.72 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.621 1.547 . . . . 0.0 111.22 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -116.66 140.58 49.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -90.06 147.09 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -113.67 105.65 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.85 179.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.267 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.3 m -54.87 118.06 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.07 -22.11 28.04 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 143.52 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.433 ' HG2' HG12 ' A' ' 103' ' ' ILE . 96.0 mtp -115.39 115.13 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.203 173.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -124.45 132.76 53.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.76 144.48 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.274 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.28 154.99 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.189 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -141.24 169.76 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -111.49 29.92 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.34 -175.7 21.01 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.18 131.48 46.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.38 40.81 30.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.245 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 96' ' ' THR . 39.1 m -135.74 49.29 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.96 142.32 25.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.1 p -108.34 -169.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 -176.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.7 p -82.8 -4.2 57.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -89.96 148.55 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -147.52 172.47 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -144.91 150.03 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.253 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 87' ' ' MET . 77.5 mt -107.08 120.86 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.5 t -80.3 132.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -113.23 -26.71 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.271 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -122.5 129.26 25.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.69 131.19 36.69 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.677 1.585 . . . . 0.0 111.201 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -134.67 99.95 12.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.7 -30.93 77.83 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.673 1.582 . . . . 0.0 111.229 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -69.91 -18.83 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.81 -14.84 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -62.36 123.65 18.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.03 82.34 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -94.57 -50.87 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.182 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -109.59 149.51 29.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.6 m -85.25 116.25 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.03 130.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -120.34 -13.06 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -171.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.9 -167.44 33.51 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -159.12 149.95 19.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.1 t -76.95 130.56 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.7 p -113.26 -21.06 11.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 -172.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -147.6 135.54 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.26 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.1 ttp -55.29 -40.02 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.72 -43.21 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.61 -47.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.68 -37.13 77.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.6 p -94.55 16.02 16.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -174.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.6 mtt -66.72 159.93 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -99.92 161.74 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.05 110.3 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.25 14.15 56.33 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -57.72 133.11 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.188 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.7 t -91.34 127.82 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 -168.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.7 mtm -87.05 137.16 32.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 170.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.94 -56.67 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.216 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.68 142.2 36.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.75 119.21 47.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.14 139.89 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.38 133.52 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.0 164.89 34.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.42 138.14 31.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.59 130.07 24.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 1 C--O 1.0 -11.412 0 C-N-CA 121.696 1.597 . . . . 0.0 111.193 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.5 137.1 49.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -137.9 177.22 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.43 -177.46 41.19 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -153.72 157.64 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.8 mt -118.24 110.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.95 115.23 22.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 174.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.0 mmm -82.66 155.41 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.95 -29.76 68.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -87.58 1.99 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.58 7.62 71.67 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.02 63.4 4.4 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -67.4 129.8 41.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.205 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 pt -115.97 153.12 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.07 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -145.96 161.6 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.63 162.32 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt -120.56 157.46 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -127.57 75.6 77.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.97 -19.39 58.0 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.642 1.561 . . . . 0.0 111.189 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.92 -22.8 59.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.229 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -103.67 -31.97 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.7 72.17 36.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.81 -51.18 10.93 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.666 1.578 . . . . 0.0 111.22 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.79 -50.83 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -171.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -42.0 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.85 -45.15 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.68 87.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -63.35 -45.86 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -57.3 -47.99 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.62 -48.47 79.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.27 -50.02 65.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.54 -49.68 72.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.34 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -79.81 0.87 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -106.54 4.26 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.266 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.42 17.17 69.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 172.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.63 -46.27 87.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.0 m-85 -84.24 -7.13 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -70.01 110.05 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.24 -8.9 49.43 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 40' ' ' TYR . 24.7 mt -82.29 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.177 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.4 p -121.23 168.83 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -171.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 73.5 m-85 -94.01 109.78 21.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -69.34 -41.15 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -139.96 91.36 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.58 112.5 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 54.1 mt -123.11 96.85 44.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 58.6 Cg_endo -68.37 139.81 46.57 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.667 1.578 . . . . 0.0 111.126 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.16 4.95 86.19 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -146.16 -96.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.238 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.27 128.82 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -98.17 106.22 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -98.6 132.54 43.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -75.34 167.48 54.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.04 -137.39 9.53 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.24 164.26 18.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.11 -30.85 72.61 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.704 1.602 . . . . 0.0 111.205 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -76.34 -23.61 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.86 80.55 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.04 -10.62 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.52 67.68 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -112.95 112.71 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.703 0.287 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.07 146.87 45.28 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.09 42.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.207 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.94 55.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 -5.24 57.58 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.83 67.24 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -76.93 120.15 21.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.12 155.13 55.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.29 158.27 52.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.718 1.612 . . . . 0.0 111.171 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.0 m -91.76 139.03 31.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.34 -10.69 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.7 p -70.76 -16.26 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.191 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -68.18 -27.69 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -103.85 -30.64 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.29 90.98 3.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -53.18 135.71 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.715 1.61 . . . . 0.0 111.171 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -105.5 138.68 41.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.05 148.77 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -110.07 109.53 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.87 177.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -57.08 121.04 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 -22.56 32.74 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.28 143.23 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.6 ttm -116.59 117.27 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 44.1 t -125.39 135.32 52.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -167.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.0 tpp -76.52 133.17 39.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.39 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.257 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -141.57 169.85 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -112.81 30.16 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.58 -178.2 19.28 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.72 132.43 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.45 36.94 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 96' ' ' THR . 36.8 m -133.09 48.7 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.27 142.75 26.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -109.36 -169.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.135 -177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.37 -15.2 58.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -75.77 143.57 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.69 169.9 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.57 148.84 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.8 mt -104.96 121.15 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.43 132.8 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.53 -32.37 6.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -115.4 128.02 26.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.6 140.42 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.635 1.556 . . . . 0.0 111.289 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -129.34 89.69 46.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -56.98 -31.54 90.19 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.757 1.638 . . . . 0.0 111.225 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -77.38 -9.95 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.23 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.63 2.85 52.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.234 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.31 108.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.72 2.73 81.41 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -87.52 -55.0 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.75 151.06 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.3 m -87.0 108.92 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.5 t -74.04 127.03 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 170.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -126.76 -14.69 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -171.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -152.66 -176.41 25.21 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -159.89 129.92 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.49 129.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 82.7 p -113.75 -20.71 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -148.46 136.12 20.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.04 60.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -56.18 -37.78 70.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.703 0.287 . . . . 0.0 111.111 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.238 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.88 -42.31 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.47 -46.97 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.54 -29.95 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.6 p -96.64 8.11 44.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.215 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.58 156.08 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.54 161.2 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.233 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.93 115.85 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.09 9.5 60.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -59.98 130.17 45.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 111.197 175.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.2 t -90.47 135.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -168.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.9 mtm -88.34 124.65 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -79.52 -43.27 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.84 149.2 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.17 122.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -123.73 140.19 53.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -172.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.5 t -128.13 139.54 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -148.98 168.39 23.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -100.59 147.26 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.25 133.76 10.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 1 C--O 1.0 -11.424 0 C-N-CA 121.676 1.584 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.779 0.323 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.62 130.03 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -143.56 134.31 25.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.59 18.68 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -148.53 146.65 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 111.185 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.62 110.11 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -87.39 121.82 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 172.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mmm -90.59 153.82 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.92 -21.61 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -88.69 4.63 46.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.58 4.62 67.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.52 144.95 44.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -128.9 96.39 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.716 0.294 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -94.32 103.63 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.8 128.05 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.2 p90 -144.72 151.11 38.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -107.3 147.74 29.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.9 mt -109.27 158.83 17.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -119.79 82.3 27.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.97 -5.98 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.726 1.617 . . . . 0.0 111.185 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 -16.82 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -107.44 -29.28 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.24 71.31 3.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.23 -31.76 89.94 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.7 1.6 . . . . 0.0 111.128 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.83 -49.17 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -69.86 -36.46 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.253 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.67 -43.88 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.78 94.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -50.63 -63.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.77 -51.85 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.8 -48.66 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.21 -48.22 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.77 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.5 -16.67 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.73 1.62 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.8 70.19 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.99 -56.45 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.729 0.299 . . . . 0.0 111.181 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -68.89 -29.01 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.203 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -57.61 110.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 -22.93 17.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -81.14 168.05 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.0 p -125.31 175.13 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -169.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -98.94 100.15 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.404 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 31.8 p-80 -80.65 -17.64 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -166.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 90.2 mmt-85 -139.61 84.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -94.44 127.22 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -124.92 91.27 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.25 130.82 39.64 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.681 1.588 . . . . 0.0 111.219 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -8.33 67.98 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -129.9 -90.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.212 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.7 133.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -175.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.2 p -102.38 152.81 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -124.25 140.17 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.94 -177.5 34.1 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.84 40.77 9.23 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -119.12 140.68 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.199 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.43 -20.34 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.646 1.564 . . . . 0.0 111.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -101.28 -49.97 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.194 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.99 36.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -107.22 7.12 29.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.01 -22.34 27.74 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.0 p -121.24 -37.47 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.66 -173.74 52.78 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -150.21 42.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.227 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.1 -42.69 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 16.75 80.49 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -75.55 150.01 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.72 0.295 . . . . 0.0 111.238 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 p -127.01 58.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.229 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.59 124.82 89.99 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.212 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.17 149.06 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.688 1.592 . . . . 0.0 111.194 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 87.2 m -102.37 95.02 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.205 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.93 146.81 54.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.2 p -125.02 -9.54 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -106.81 146.57 30.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -84.94 -33.32 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 0.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -169.71 90.26 0.55 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.67 151.22 10.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.686 1.591 . . . . 0.0 111.202 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.07 -171.26 2.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -109.64 151.77 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.81 69.93 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.9 -165.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.8 m -51.23 113.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.252 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.37 -9.61 69.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.08 145.92 34.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.28 116.47 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.233 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 85.2 p -116.65 168.93 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -177.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.9 tpp -114.92 129.84 56.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.31 154.93 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -141.36 166.29 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -120.05 40.02 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -167.99 22.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -69.96 130.0 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 50.54 43.63 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 96' ' ' THR . 38.8 m -139.69 61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.15 152.29 36.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 p -115.6 -163.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.251 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.82 -16.39 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.85 127.04 31.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -134.78 163.82 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -171.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -109.81 153.12 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.7 mt -125.3 109.67 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 158.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.28 134.33 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -100.02 -40.27 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.97 151.3 78.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -49.96 137.23 36.3 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.739 1.626 . . . . 0.0 111.191 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -129.99 98.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.38 -25.51 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.726 1.618 . . . . 0.0 111.215 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.82 -19.55 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.99 110.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.235 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.17 4.79 68.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.81 -50.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -118.47 -179.36 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -109.35 122.72 47.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 84.2 t -80.53 131.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -126.11 -12.43 6.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 -173.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.91 179.04 28.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.33 130.16 7.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 85.3 t -65.06 134.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -116.76 -21.91 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -152.29 145.14 24.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.33 20.4 35.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.51 -33.13 72.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.73 -40.59 95.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.05 -42.42 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.81 -46.45 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.2 p -95.11 14.65 21.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.95 140.94 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -111.2 152.54 26.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.03 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.62 2.91 64.9 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.96 139.43 57.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.36 132.33 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -171.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.3 mtm -81.08 100.66 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.54 -48.91 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -150.12 112.12 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.28 121.48 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -146.97 151.66 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.07 138.98 52.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -136.27 170.12 16.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -96.44 133.71 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -128.96 129.93 23.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 1 C--O 1.0 -11.409 0 C-N-CA 121.701 1.601 . . . . 0.0 111.214 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.766 0.317 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -100.06 125.53 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -136.35 129.91 32.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.69 159.1 14.63 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -140.51 128.35 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.315 . . . . 0.0 111.237 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -113.62 115.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp -90.32 119.94 31.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -86.47 154.9 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.49 -4.34 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -96.85 4.82 51.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.44 6.93 70.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.86 136.41 33.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -116.14 94.78 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.69 111.88 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.6 p90 -147.17 151.92 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -175.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.95 154.0 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -110.01 150.98 27.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.225 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.73 77.87 73.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.88 -15.7 49.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.702 1.601 . . . . 0.0 111.248 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.16 -22.85 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.44 -39.97 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.51 86.07 5.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.3 -48.37 22.12 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.736 1.624 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.95 -49.73 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.0 m -61.86 -43.79 98.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.84 -45.32 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.96 85.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.81 -49.14 78.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.24 -49.3 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.59 -50.6 71.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.3 -49.16 78.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.89 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.91 -17.31 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -84.49 -4.12 58.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.68 61.49 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.08 -58.69 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.169 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 43' ' ' LEU . 63.0 m-85 -69.66 -26.62 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -176.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.41 110.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.263 173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.32 -6.04 36.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.5 mt -88.65 163.44 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 p -123.3 170.05 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 75.0 m-85 -94.57 107.67 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 174.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -73.38 -19.5 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.191 -167.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -159.75 91.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -91.34 119.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.19 91.09 47.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.93 130.08 38.72 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.765 1.643 . . . . 0.0 111.173 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.13 68.69 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 53' ' ' VAL . 16.7 t80 -139.97 -93.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 174.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 52' ' ' PHE . 18.4 m -139.99 155.17 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 173.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -111.92 103.0 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -89.87 139.78 30.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -161.35 178.38 37.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.68 20.99 4.81 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -114.45 140.7 25.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.45 -20.23 12.54 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.672 1.581 . . . . 0.0 111.288 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.84 -20.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.291 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.46 28.91 51.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -104.48 6.81 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.44 -5.14 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -112.48 120.46 41.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.96 174.12 53.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -103.27 29.76 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.253 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.2 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.17 -0.8 88.87 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.07 176.31 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.224 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.4 m -92.28 137.86 32.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.2 pt -119.11 156.58 52.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.37 140.72 19.63 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.683 1.589 . . . . 0.0 111.123 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 70.7 m -128.79 141.26 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -104.61 120.49 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -172.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -100.54 -16.15 17.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.259 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.91 150.93 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -100.11 -20.12 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 3.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.23 125.38 86.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -54.78 156.5 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -120.05 100.31 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.19 -29.43 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -169.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.8 m80 55.67 74.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.08 178.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -55.21 119.57 5.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.9 57.85 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.59 147.74 48.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.7 mtp -120.6 126.78 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -136.36 138.11 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -169.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.3 mtp -89.94 145.47 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.29 134.31 34.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -151.89 169.97 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 175.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.86 37.77 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.75 171.86 12.34 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -70.05 133.83 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.218 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 58.76 30.82 20.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.244 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -153.04 78.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.79 -174.72 16.28 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.0 p -119.93 178.45 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 111.213 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 82.3 m -77.85 -7.29 56.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.34 148.79 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -141.74 176.66 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.3 150.0 24.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.76 127.86 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.19 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.0 t -81.89 129.89 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -92.91 -41.62 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -127.08 150.11 71.22 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.67 127.38 25.2 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.685 1.59 . . . . 0.0 111.228 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -136.25 82.99 33.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.272 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.19 -25.28 63.56 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.678 1.585 . . . . 0.0 111.231 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -64.63 -21.09 66.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.83 -11.59 55.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.58 107.37 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.77 57.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.08 -43.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.245 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.01 174.51 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.2 173.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.6 m -119.54 109.89 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.52 133.24 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 169.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.4 -17.78 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.3 -173.21 29.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -157.86 131.61 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 86.1 t -65.48 133.21 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.201 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.3 p -115.93 -21.85 9.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.5 t -151.41 140.04 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.224 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.28 17.19 47.45 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.1 tpt -58.11 -30.79 66.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.204 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.68 -45.45 92.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.24 -41.86 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.03 -48.4 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.61 -30.18 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -98.51 20.95 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 55.0 mtt -64.88 156.01 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -123.43 159.45 28.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -69.78 102.64 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.1 31.18 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.21 146.69 32.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.83 130.71 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -165.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -85.52 103.87 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -47.9 76.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -150.08 112.12 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.84 132.98 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -161.16 152.35 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.6 t -131.48 137.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.78 166.41 16.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -99.93 80.07 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.02 128.27 91.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 1 C--O 1.0 -11.413 0 C-N-CA 121.724 1.616 . . . . 0.0 111.182 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -145.84 171.34 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -152.52 173.09 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.71 -172.18 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.52 149.88 22.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.52 123.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 tp -92.34 118.28 30.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mmm -89.15 154.24 20.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.23 -19.35 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.213 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -88.32 -1.35 57.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.96 -0.76 64.69 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.41 53.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.61 125.99 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.227 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -119.17 101.39 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.226 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -91.83 135.93 33.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -145.83 152.26 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.209 -173.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.32 160.64 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.06 155.27 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -122.65 77.49 47.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.71 -14.14 32.83 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.786 1.657 . . . . 0.0 111.139 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -90.09 -6.2 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -113.91 -34.76 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.51 71.47 14.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.193 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.05 -30.76 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.714 1.609 . . . . 0.0 111.182 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.08 -17.76 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.229 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -102.87 -44.03 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.9 -40.18 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.01 82.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.253 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -70.06 -37.67 75.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.1 -52.13 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 175.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -57.79 -49.92 74.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.43 -56.98 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.13 -41.83 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.4 56.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.17 -23.9 59.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.45 6.06 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.6 18.65 67.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 166.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.97 -20.77 44.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.252 176.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -100.03 23.9 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.239 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.81 115.73 27.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.3 19.9 47.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.91 145.04 54.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -113.54 143.79 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 49.5 m-85 -81.63 157.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -120.01 -47.71 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -170.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -137.39 89.03 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.07 113.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 84.6 mt -118.12 105.1 47.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.268 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -52.41 123.08 11.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.647 1.565 . . . . 0.0 111.198 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 10.9 64.03 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -139.99 -92.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 111.221 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.23 130.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.213 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.6 p -96.82 74.12 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 102' ' ' PHE . 28.5 tt0 -82.45 125.76 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 -174.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -179.08 -148.77 7.88 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.09 38.09 11.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 52.9 t -108.76 137.27 20.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 92.4 Cg_exo -54.73 -33.32 79.91 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.656 1.571 . . . . 0.0 111.215 -177.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -113.9 -19.75 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -174.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.03 65.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -100.09 4.04 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.71 0.72 83.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -116.01 110.64 19.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.71 110.91 3.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -107.87 15.52 24.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 111.248 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.34 72.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.227 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.11 14.22 59.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -120.05 140.25 51.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.3 m -125.88 138.13 53.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.3 mt -118.62 131.49 24.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -76.65 166.42 27.22 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.726 1.618 . . . . 0.0 111.174 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.6 93.63 7.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -49.93 110.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -103.14 88.34 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -148.04 -147.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.257 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.94 -29.93 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.197 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -50.0 110.48 1.65 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -61.12 -27.6 84.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.684 1.589 . . . . 0.0 111.184 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 55.28 45.2 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -70.66 118.64 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.97 82.77 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.8 m -125.23 -176.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 177.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 m -47.71 116.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.11 -26.98 13.54 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.51 138.41 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 111.222 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.2 ttm -115.55 122.96 47.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.272 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -139.22 144.67 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -167.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.29 155.39 36.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.217 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.9 110.42 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 97' ' ' GLY . 66.0 m-70 -102.97 142.61 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -133.53 49.96 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.95 172.03 13.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -59.42 119.71 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 111.268 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 51.85 30.93 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 96' ' ' THR . 75.5 m -116.34 65.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' HIS . . . -91.82 132.96 11.53 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 173.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -86.83 -170.81 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.5 p -75.56 -9.32 58.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -79.91 150.05 30.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.01 172.95 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.274 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 55' ' ' GLN . 55.1 p90 -148.15 150.59 34.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.176 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.29 133.07 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 173.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.77 130.13 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -93.27 -32.11 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -140.04 152.23 67.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 86.9 Cg_exo -49.56 117.32 2.88 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 121.739 1.626 . . . . 0.0 111.187 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -121.5 101.6 43.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.34 -25.5 65.82 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.682 1.588 . . . . 0.0 111.232 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -82.14 -5.6 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.73 -23.61 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -55.79 112.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.08 5.2 86.12 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.14 -45.2 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 111.198 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -109.09 -170.92 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.5 m -106.98 111.04 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.25 128.54 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -132.05 -14.92 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.71 27.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.25 128.07 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.03 132.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.255 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.2 p -114.91 -22.89 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 t -156.62 140.26 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.87 13.13 57.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.5 tpt -57.7 -29.9 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.232 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.73 -38.65 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.224 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.42 -50.15 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.203 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -75.23 -22.58 57.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 -173.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.3 p -99.21 11.49 38.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -64.44 145.4 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.71 150.14 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -71.16 112.6 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.212 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 117.41 -1.85 18.51 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -58.78 153.69 16.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.0 129.47 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.233 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.6 mtm -83.34 100.0 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -48.8 -46.19 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -168.35 132.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.249 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.88 128.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.187 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.65 140.35 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.75 134.7 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -132.79 149.7 52.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.12 75.14 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.204 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.11 100.06 27.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.667 1.578 . . . . 0.0 111.173 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.52 149.26 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -159.56 153.51 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.38 140.61 11.86 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -172.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -112.85 136.42 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.54 106.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.01 123.51 32.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 171.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.0 mmm -91.44 153.47 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.0 -20.64 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -94.11 12.09 27.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.63 5.09 67.12 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 172.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.16 157.97 53.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -148.77 100.91 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.143 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.11 117.83 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -112.6 125.23 54.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 43.3 p90 -142.9 151.64 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -174.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.08 161.55 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -120.18 154.73 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.77 75.48 64.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.23 -15.14 45.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.719 1.613 . . . . 0.0 111.202 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.73 -25.97 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.06 -19.72 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.13 72.58 22.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.46 -53.93 5.78 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.65 1.567 . . . . 0.0 111.201 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.67 -49.54 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.235 -171.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -58.17 -49.53 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.186 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.44 -43.37 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.2 73.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.71 -40.94 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.261 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -55.03 -49.8 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.23 -49.93 75.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.52 -41.58 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.98 -50.18 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -79.69 -4.08 50.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -103.32 5.46 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 171.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.42 70.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -70.09 -56.27 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.204 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -73.16 -20.43 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -70.17 86.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.25 15.74 3.01 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 170.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.36 166.77 20.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.184 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 m -112.02 150.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.66 106.57 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.56 -39.85 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.258 -172.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -140.06 89.97 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -78.78 107.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.0 mt -130.35 86.46 53.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.87 140.68 42.86 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.618 . . . . 0.0 111.227 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.35 73.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -134.4 -102.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.9 t -140.29 119.7 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 t -93.41 119.15 32.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -96.94 126.09 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.59 165.01 31.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.53 29.14 2.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.6 m -97.38 140.21 21.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.76 -15.41 13.49 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.663 1.575 . . . . 0.0 111.205 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.45 -5.73 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.31 19.24 79.87 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -99.99 -1.8 36.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 111.177 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.35 3.02 82.24 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -127.15 162.44 26.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 111.187 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.75 162.54 13.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -144.36 -162.53 1.5 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.746 0.308 . . . . 0.0 111.19 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.69 15.84 22.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.21 5.07 76.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -166.33 174.91 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -121.91 160.05 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 pt -127.14 154.5 76.76 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.49 154.4 68.85 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.721 1.614 . . . . 0.0 111.155 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.43 137.64 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -126.73 64.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.6 p -115.69 -19.92 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.98 -41.44 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.72 41.81 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -122.34 100.19 42.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.53 -25.3 75.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.726 1.618 . . . . 0.0 111.158 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.49 138.72 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -119.04 166.52 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -82.63 73.65 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -119.69 -174.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -51.46 117.61 2.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.73 -28.33 11.62 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.41 138.93 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 -170.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 52.8 ttm -119.73 119.92 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 171.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 39.3 t -124.4 133.89 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -168.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.2 tpp -77.16 128.9 35.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.31 151.55 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.165 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -140.02 169.73 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.84 31.44 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.06 -173.41 21.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -59.95 123.35 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 111.272 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 54.72 40.1 31.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.217 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.587 ' O ' HG22 ' A' ' 96' ' ' THR . 47.3 m -132.13 50.95 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 154.91 51.02 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -116.56 -127.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.177 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 17.9 p -133.18 -11.95 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -72.68 155.64 39.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -145.01 156.36 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.26 131.41 55.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -97.09 105.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.206 166.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.88 126.91 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -109.78 -25.44 10.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 175.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -129.11 133.13 24.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 173.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.27 131.16 17.98 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.697 1.598 . . . . 0.0 111.191 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.38 99.9 26.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -173.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.18 -36.04 84.49 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.758 1.639 . . . . 0.0 111.22 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.05 -19.94 64.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.4 mt -113.54 -2.44 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -65.07 104.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.12 5.06 86.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -79.06 -53.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -98.45 -179.83 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 m -100.79 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.4 t -70.74 118.73 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 173.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -124.57 -13.44 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 -170.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.72 179.15 24.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.13 126.93 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.8 t -67.44 129.9 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.1 p -115.19 -20.02 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -155.01 146.74 23.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 23.11 59.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 ptm -67.99 -19.99 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -92.59 4.94 52.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.68 -44.6 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.215 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.02 -31.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.3 p -96.41 -20.82 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 39.0 mmt -71.1 149.97 45.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.227 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -104.59 161.84 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -65.28 134.87 54.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.77 69.65 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.85 147.31 53.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.87 144.24 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 140' ' ' VAL . 62.3 mtt -73.01 148.85 43.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -103.41 -49.49 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -150.02 112.04 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.428 HG21 ' SD ' ' A' ' 137' ' ' MET . 63.7 t -118.15 127.16 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -144.85 149.85 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -129.94 139.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -149.99 163.9 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -100.98 113.98 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -90.12 123.4 65.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 1 C--O 1.0 -11.399 0 C-N-CA 121.755 1.636 . . . . 0.0 111.211 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.11 178.59 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -137.24 138.73 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.232 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.03 151.88 17.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -126.9 128.24 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.01 117.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 170.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.8 tp -102.64 123.65 46.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mmm -88.87 148.9 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.216 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -64.11 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.05 -11.38 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -4.68 50.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 155.79 50.43 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -130.04 130.02 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.218 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.1 mt -120.54 110.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.224 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -113.54 128.85 56.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 28.0 p90 -144.34 150.39 37.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.203 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.73 153.59 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -110.37 144.85 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.208 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -130.4 82.05 66.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.92 -14.99 48.2 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.672 1.581 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.45 -24.39 61.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.67 -41.74 11.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.42 90.27 4.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.24 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.31 -56.32 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.668 1.578 . . . . 0.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.89 -40.16 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -45.89 85.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.64 -44.36 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.89 78.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.81 -46.59 87.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -56.54 -46.71 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.243 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.27 -49.72 76.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.266 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.9 -41.02 90.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.67 -49.87 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.46 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.256 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.42 5.03 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.28 5.17 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 167.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.58 22.4 69.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.81 -56.45 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -71.02 -21.63 62.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.02 110.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.46 -5.24 35.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.06 151.67 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.18 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -113.91 166.67 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.01 106.04 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 172.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -77.75 -16.82 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -148.8 76.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.53 120.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.15 96.08 29.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.63 139.87 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.662 1.574 . . . . 0.0 111.215 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.93 -11.89 70.15 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -131.82 -91.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.179 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.82 129.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -93.14 126.79 38.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.29 130.94 53.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.9 -176.33 26.16 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.57 23.53 4.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 72.1 m -110.62 127.99 26.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 67.8 Cg_exo -58.94 -34.22 99.03 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.675 1.583 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.5 -18.91 12.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.88 23.42 61.89 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -100.05 5.17 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 111.198 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.81 3.19 74.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -116.07 118.36 32.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 111.203 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.57 177.26 52.58 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -143.22 80.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.28 155.01 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.41 30.88 9.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -119.9 143.67 47.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -120.65 159.99 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.5 100.01 52.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.39 144.48 96.34 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.722 1.614 . . . . 0.0 111.176 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.4 t -72.5 102.38 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.86 142.9 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.1 p -125.07 -23.7 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -109.96 149.91 29.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -97.45 -30.0 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 3.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -97.28 150.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.31 175.16 11.67 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.705 1.603 . . . . 0.0 111.207 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -106.27 141.19 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.92 96.28 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 -176.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -73.95 71.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.2 m -106.58 -173.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -53.55 117.18 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -22.82 37.89 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.11 139.42 52.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.226 -170.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.6 mtp -123.28 130.36 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.5 p -136.63 164.6 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 69.3 mtp -114.54 143.97 44.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.19 135.08 47.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -149.99 165.54 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -138.62 27.93 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.89 -171.27 21.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.55 133.91 52.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 53.27 30.12 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.5 m -142.17 119.89 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.221 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.42 -161.49 32.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.0 p -142.2 -179.88 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.4 p -83.58 -9.81 58.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.22 147.46 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.63 170.02 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -173.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -126.94 144.02 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.6 mt -119.31 111.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 167.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.13 139.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -170.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.49 -40.19 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.191 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -131.18 158.68 74.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.238 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.6 Cg_exo -49.83 119.49 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.642 1.561 . . . . 0.0 111.168 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.424 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 96.9 mm-40 -121.28 89.03 46.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 177.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 108' ' ' GLN . 52.7 Cg_endo -65.07 -20.0 63.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.655 1.57 . . . . 0.0 111.286 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.0 mt -106.42 0.75 25.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -65.66 100.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.26 -4.84 65.04 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.95 -44.23 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -117.78 169.86 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.9 m -97.92 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.2 132.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -128.08 -16.65 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.24 -177.89 33.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -158.38 129.28 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.515 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 88.8 t -64.63 130.94 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.6 p -118.57 -18.82 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.8 t -145.01 142.95 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.264 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.19 15.46 51.33 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.05 -30.1 68.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 111.172 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -57.04 -33.81 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.0 t -79.84 -46.0 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 -43.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -78.28 -10.0 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -115.48 17.64 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 96.7 mtp -67.82 155.37 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.83 152.4 47.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -65.11 127.04 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.78 -4.99 42.8 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -59.6 145.07 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.266 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.3 p -123.6 140.31 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.199 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -81.76 104.86 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.89 -43.61 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -161.21 153.85 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 173.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.81 129.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.34 160.95 37.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.2 t -134.85 133.48 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.09 151.42 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -76.25 77.29 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -123.51 91.32 49.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.414 0 C-N-CA 121.689 1.592 . . . . 0.0 111.214 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.52 144.54 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -135.55 164.76 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.63 160.29 23.73 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -143.06 130.66 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -117.34 111.1 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 tp -90.63 129.91 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 168.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.8 mtt -101.12 154.42 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -60.0 -27.9 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.7 4.89 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.32 -0.89 62.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.66 138.5 44.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.85 96.37 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.257 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -100.65 124.66 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.55 133.16 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 40.7 p90 -144.09 158.23 43.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -173.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.03 155.68 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -113.19 146.87 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.229 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -129.93 83.6 63.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 -174.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.53 -30.33 53.85 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.73 1.62 . . . . 0.0 111.173 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.4 -32.26 72.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.12 -40.31 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.05 87.83 5.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.15 -51.7 9.56 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.683 1.589 . . . . 0.0 111.215 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.37 -41.81 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 m -60.87 -46.56 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.5 -44.96 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.0 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -68.54 -40.73 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -60.32 -47.16 87.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -56.76 -48.71 77.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -50.87 -53.39 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.16 -50.55 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.84 92.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.203 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -83.65 4.49 28.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -107.65 6.13 27.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 168.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.04 20.92 72.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.03 -56.48 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.7 m-85 -74.01 -23.8 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -61.38 110.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.08 -10.0 36.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.2 mt -85.56 166.39 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.259 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -119.63 -169.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -105.16 153.42 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -92.54 -80.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -99.69 107.42 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.3 t -102.3 123.91 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.9 90.08 43.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -62.46 129.87 28.14 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.703 1.602 . . . . 0.0 111.224 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.87 5.04 78.15 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -132.63 -86.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.251 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.26 130.08 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -118.98 147.08 44.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -110.69 135.31 51.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 164.05 40.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.23 -148.37 19.8 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 31.0 p -151.75 157.92 34.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.225 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 55.6 Cg_endo -69.29 -20.28 37.25 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.173 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -73.49 -28.52 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.222 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.95 15.38 81.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.84 -10.26 21.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -4.98 68.27 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -104.43 110.83 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.213 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.63 138.32 48.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -150.32 96.66 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.139 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.04 -2.73 58.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.24 71.74 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -168.06 178.95 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -119.37 158.49 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.96 115.55 40.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.69 137.16 42.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.713 1.609 . . . . 0.0 111.259 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.4 t -73.58 123.45 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.26 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -104.47 4.65 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.5 m -64.19 -36.9 85.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.02 -33.33 73.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.18 -32.82 59.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -144.58 90.0 6.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.01 143.11 74.79 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -157.69 179.86 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -172.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -126.87 146.49 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.21 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.68 80.3 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.69 -164.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -51.83 116.43 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.31 -11.39 68.98 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 136.99 47.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.7 ttm -120.23 118.78 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 94.8 p -125.33 151.02 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -172.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.3 tpp -89.87 133.27 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.269 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.38 130.31 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.497 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 31.0 p80 -159.35 -177.46 6.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 171.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.42 31.94 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.35 -168.44 23.79 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.98 119.8 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 111.227 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.0 t0 69.91 41.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 p -130.62 26.51 5.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.231 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -75.48 154.32 45.61 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -171.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -117.04 -171.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 174.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.9 p -81.06 -10.1 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.262 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -85.65 149.49 25.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -148.94 154.01 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -101.63 127.25 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.1 mt -96.99 110.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 168.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.39 124.7 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -95.01 -50.0 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -106.56 150.15 39.23 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.2 130.47 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.585 1.524 . . . . 0.0 111.237 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.98 90.09 43.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.25 53.86 4.7 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.678 1.585 . . . . 0.0 111.182 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.71 -23.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.5 2.66 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.92 110.51 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.97 -8.28 70.23 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.52 -40.61 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -127.12 179.17 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -123.71 109.67 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.282 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 70.9 t -67.49 130.14 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 175.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -128.36 -11.88 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -150.96 -176.73 24.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -158.56 127.45 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 111.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.487 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 90.2 t -67.47 133.28 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.6 p -117.68 -21.9 8.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.6 t -147.99 148.53 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.94 15.37 52.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.8 mtp -61.41 -28.56 69.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.219 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.29 -28.42 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.43 -43.0 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 176.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.77 -47.35 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -68.81 -11.13 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.8 p -118.64 19.67 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.5 ttm -58.06 132.91 54.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -80.11 154.45 28.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -66.98 107.77 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 31.01 55.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -50.08 120.12 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.61 122.85 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.5 mtm -85.6 113.37 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.07 -40.76 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -170.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -152.35 109.58 3.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.85 129.81 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.04 159.5 43.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -129.75 139.79 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -142.85 172.57 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -116.05 124.17 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -132.77 130.96 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 1 C--O 1.001 -11.351 0 C-N-CA 121.732 1.621 . . . . 0.0 111.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.775 0.322 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.71 163.72 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -130.46 156.07 45.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -153.49 -179.98 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.35 -167.02 34.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -150.94 149.82 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.145 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.2 mt -109.17 101.86 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 tp -79.87 120.47 24.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.4 mmm -90.04 147.73 23.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.55 5.34 28.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.99 58.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.52 170.65 53.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -157.49 127.81 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.44 105.34 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -88.32 132.42 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -139.65 161.37 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -123.21 150.12 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.08 153.12 26.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -127.19 92.46 43.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.14 -28.84 53.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.697 1.598 . . . . 0.0 111.174 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.12 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.81 -43.21 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.32 93.39 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.225 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.71 -46.73 31.15 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.741 1.627 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -47.4 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.4 m -62.72 -46.65 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.08 -48.2 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.0 78.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.02 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.85 -44.16 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.19 -46.99 87.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.56 -42.62 88.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.32 -50.1 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.252 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.8 83.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.228 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -77.75 -5.14 49.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 -174.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -99.14 3.54 46.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.08 18.41 80.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.76 -41.77 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.15 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' HA ' HD22 ' A' ' 43' ' ' LEU . 70.6 m-85 -85.6 0.15 53.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -171.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -69.95 102.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.23 -1.6 31.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 40' ' ' TYR . 11.1 mp -87.07 142.12 28.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 111.198 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -114.53 165.45 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -170.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -91.96 99.01 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 168.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -81.74 -14.2 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 -168.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -134.86 80.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -89.49 130.15 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -121.78 96.66 46.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.95 122.28 11.4 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.735 1.624 . . . . 0.0 111.212 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.79 -16.3 58.72 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -128.99 -128.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.237 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.87 120.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.1 m -105.95 148.52 27.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -123.82 135.46 53.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.68 176.11 26.69 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.25 24.41 1.45 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 94.6 m -109.98 113.26 57.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 111.201 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.38 102.65 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.736 1.624 . . . . 0.0 111.181 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 50.04 31.27 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.97 59.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -96.13 13.21 28.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.241 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.11 -97.55 2.34 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -115.26 119.7 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.197 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.32 40.65 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -77.34 73.35 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.176 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.43 -44.02 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.44 14.82 70.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -124.83 122.81 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -128.68 129.99 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.14 158.52 63.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -87.21 179.47 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.705 1.603 . . . . 0.0 111.177 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.08 109.7 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.217 170.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -100.4 144.76 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.6 p -129.07 -11.87 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.1 m-20 -109.18 149.99 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.8 m-80 -99.56 -22.18 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 6.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -98.79 150.14 36.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.01 139.19 70.71 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -110.23 60.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.63 148.53 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -92.9 72.11 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.86 -171.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -54.32 111.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.57 -10.02 66.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.73 144.91 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.208 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.42 122.26 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 97.3 p -124.73 153.76 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.0 tpp -90.03 130.37 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 132.12 46.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -160.58 -178.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.85 -4.62 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.55 -146.39 12.45 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -75.49 129.51 37.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 57.64 55.28 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.1 p -138.22 -8.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.19 165.09 43.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 91.7 p -150.04 -119.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.73 0.3 . . . . 0.0 111.239 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -128.51 -8.12 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.185 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -78.52 141.49 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -145.28 164.97 29.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -171.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.84 154.98 23.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.27 119.8 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 163.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.73 122.91 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.57 -51.41 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 39.3 tp10 -106.05 130.98 22.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.23 173.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 106' ' ' GLU . 87.1 Cg_exo -51.17 137.89 45.42 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.723 1.615 . . . . 0.0 111.25 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -128.08 97.01 30.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.17 -32.94 89.06 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.76 1.64 . . . . 0.0 111.159 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -77.53 -9.11 58.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.257 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.78 -5.6 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.61 112.75 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.89 -4.95 82.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.56 -42.61 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.74 168.15 11.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.0 m -89.67 101.18 13.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.226 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 94.8 t -70.26 130.02 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -132.67 -15.74 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.2 179.94 25.59 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -158.35 129.38 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.205 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.0 134.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 78.1 p -114.75 -21.53 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.7 t -157.44 141.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.91 11.2 60.54 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.44 -29.01 61.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -54.46 -31.94 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.06 -36.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.0 -48.04 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.216 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.7 ttp-105 -58.48 -38.38 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 p -97.05 10.08 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.193 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.2 ttm -69.71 142.55 53.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.04 150.12 21.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -60.83 115.78 3.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.67 19.08 49.78 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -57.44 134.1 55.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.25 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.9 132.76 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.8 mtm -83.76 126.1 32.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.95 -47.56 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -174.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -148.79 108.16 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.8 119.36 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.67 148.36 51.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.5 t -134.96 139.2 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -144.66 165.04 29.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.04 139.91 36.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -159.98 73.85 3.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 1 C--O 1.0 -11.386 0 C-N-CA 121.613 1.542 . . . . 0.0 111.232 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.22 159.1 15.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.05 129.98 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.234 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -135.22 176.49 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.02 -176.68 41.06 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -149.93 157.26 42.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.27 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.7 mt -118.51 111.26 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 tp -90.7 120.13 31.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.2 mmm -92.6 153.31 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.22 -25.01 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -94.55 12.78 26.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.87 10.59 78.58 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 172.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 64.87 4.1 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -79.26 116.43 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.41 156.23 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.278 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -118.72 148.55 42.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -145.07 165.08 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.45 153.26 38.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.74 156.92 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -129.28 80.04 73.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -66.88 -16.1 48.95 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.624 1.549 . . . . 0.0 111.201 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -82.54 -9.49 59.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -108.04 -37.36 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.17 78.62 16.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.98 -48.62 21.16 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.681 1.587 . . . . 0.0 111.179 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.24 -50.92 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 -171.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.8 m -62.19 -42.47 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.87 -44.82 99.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.42 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.54 -43.28 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -56.1 -48.93 75.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.62 -45.57 91.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.51 -45.27 89.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.71 -46.65 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.84 94.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.93 -4.98 54.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.29 22.74 72.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -51.19 -43.73 61.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.327 . . . . 0.0 111.202 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -82.26 -16.85 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -171.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -70.05 103.55 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.04 -14.29 31.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.91 163.94 21.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.4 p -120.9 166.84 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 28.3 m-85 -80.86 124.18 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 172.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -54.95 -54.84 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -159.97 129.76 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.2 114.98 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -111.78 104.59 56.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.19 130.86 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.176 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.59 79.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -141.24 -92.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.1 t -144.07 138.54 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -109.22 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -105.39 130.08 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -79.87 160.54 44.98 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.06 -148.46 24.22 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 30.4 p -154.83 164.54 20.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -169.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 89.3 Cg_exo -54.93 -35.41 89.37 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.654 1.57 . . . . 0.0 111.15 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.1 -36.26 83.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.85 84.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -173.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -101.46 -3.62 28.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.09 4.82 77.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -117.25 112.98 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.99 145.23 44.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -153.22 44.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 -18.68 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.6 -2.46 58.85 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.33 69.03 7.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.8 m -103.58 121.99 44.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.195 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.416 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 46.7 pt -130.02 159.35 70.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 178.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 71' ' ' ILE . 94.5 Cg_endo -71.94 163.61 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.748 1.632 . . . . 0.0 111.176 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.71 136.76 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -89.76 -6.09 56.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.2 p -69.03 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.36 -35.52 80.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.83 -27.19 11.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -143.56 83.33 10.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -51.05 130.79 32.96 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.683 1.589 . . . . 0.0 111.224 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.77 141.77 43.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -102.69 144.67 30.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -109.8 108.03 18.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.32 -178.62 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -54.96 118.51 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.44 -19.3 42.78 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.94 143.43 56.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -171.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.3 mtp -118.76 127.85 53.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -141.11 142.78 34.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 38.5 ttm -68.77 135.78 51.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.92 150.34 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -129.18 146.21 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -99.86 7.48 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.14 -174.43 36.9 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -59.45 120.06 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 53.04 33.92 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.2 m -126.35 68.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.38 159.68 47.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.5 p -118.81 -178.07 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 111.146 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.47 2.56 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -90.26 144.02 26.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -130.09 156.59 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -138.25 151.04 47.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.207 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -109.99 123.72 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.19 135.04 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.6 -31.32 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.79 149.19 72.93 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.49 134.42 39.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.716 1.61 . . . . 0.0 111.265 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -125.12 87.67 55.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.03 -31.94 66.48 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.712 1.608 . . . . 0.0 111.195 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -71.24 -24.13 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.63 -9.57 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.68 125.09 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 4.92 85.5 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.6 t -102.62 -48.39 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -109.87 160.3 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -96.47 110.43 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.95 134.89 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 -15.31 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -171.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.21 -167.2 30.33 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -159.71 149.57 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 111.262 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.67 130.21 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 -18.85 12.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -171.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.7 p -136.93 146.43 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 67.32 34.92 86.75 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 75.7 mtm -59.79 -39.1 83.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.82 -39.08 93.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.81 -43.0 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.87 -44.1 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.256 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.02 -35.75 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.7 p -96.37 17.11 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.66 160.01 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.62 159.17 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -68.77 110.55 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.59 12.76 57.88 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -60.02 132.71 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.209 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.1 t -88.37 129.17 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 -167.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.0 mtm -85.48 123.01 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -89.75 -40.28 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.261 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -157.65 136.14 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.6 t -128.14 120.59 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 170.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -127.27 133.55 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -172.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -118.42 139.9 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.05 165.74 28.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.01 149.98 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -125.31 129.97 24.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.67 1.58 . . . . 0.0 111.197 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.3 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.823 0.344 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.17 146.02 35.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.267 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -89.92 139.95 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.3 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -149.07 167.02 27.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.33 165.63 25.7 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -140.02 119.91 13.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.181 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 96.6 mt -92.03 125.62 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.1 tp -111.16 120.09 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 171.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.5 mmm -90.36 153.99 20.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.51 -27.52 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -92.84 16.95 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.64 12.54 69.12 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.63 136.98 36.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -124.46 95.21 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -175.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 78.3 mt -115.77 105.13 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -175.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -103.63 134.2 47.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -142.99 158.98 43.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -104.58 157.96 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -109.68 147.48 33.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.75 83.1 58.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -66.49 -14.56 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -67.54 -29.1 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 78' ' ' ASN . 99.3 mt-10 -78.94 -36.97 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.11 93.67 1.02 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.46 -47.04 29.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.621 . . . . 0.0 111.17 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.43 -44.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.5 m -64.12 -48.47 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.32 -40.4 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.08 78.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -61.69 -42.7 99.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.232 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.08 -50.92 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.74 -46.3 90.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -44.03 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt -58.89 -45.92 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.54 94.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.51 -29.94 70.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.96 -4.71 58.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 3.31 58.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -67.17 -30.02 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.159 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -102.97 30.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 139' ' ' GLU . 93.5 m-20 -119.98 50.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.62 61.18 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.71 159.61 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.5 m -114.22 148.26 37.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.506 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 51.3 m-85 -97.07 97.8 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.84 -43.08 59.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -170.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -120.18 80.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.36 123.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt -119.43 97.3 50.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.239 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.44 127.85 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.227 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.27 -8.94 67.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 -66.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.233 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.6 p -170.8 140.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -171.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -99.25 106.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 170.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -92.23 119.73 32.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.6 177.87 42.34 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -174.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.85 24.43 2.8 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.9 t -100.0 129.46 28.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.204 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.99 -16.27 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.705 1.603 . . . . 0.0 111.182 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -98.5 -23.91 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.48 15.21 81.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -99.69 -0.46 40.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.226 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.4 -4.97 62.44 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -116.38 103.96 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 111.227 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.75 155.06 53.22 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -145.37 99.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.221 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.31 -14.1 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.6 -8.42 74.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -162.9 167.43 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -89.71 132.55 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.9 mt -97.48 125.45 45.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.202 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -56.88 144.7 87.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.696 1.597 . . . . 0.0 111.212 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.3 t -95.79 97.99 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -89.53 120.04 30.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.1 p -99.2 -5.01 30.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -108.01 147.54 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -99.09 -38.39 8.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 6.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB2' ' HA ' ' A' ' 23' ' ' GLU . 99.1 m-20 -80.04 153.54 74.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 170.45 20.16 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.662 1.575 . . . . 0.0 111.153 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.55 67.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -173.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -82.11 144.51 30.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -101.2 94.82 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -104.02 -171.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.7 m -55.66 109.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.42 -3.36 68.85 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.08 140.29 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.0 mtp -119.63 127.99 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.3 p -137.64 153.64 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.7 mmm -88.25 139.02 30.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.29 130.29 37.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -157.19 177.19 11.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.22 33.32 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.195 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.51 -169.65 21.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.01 121.86 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.189 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 t0 69.88 47.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -138.7 0.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.85 152.08 48.44 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 p -119.46 -178.16 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 174.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.0 p -69.63 -18.98 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -63.29 142.64 58.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -147.63 171.72 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -173.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -117.27 138.67 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.06 106.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 164.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.96 138.59 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -173.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -90.65 -95.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.88 155.76 90.35 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 164.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.37 141.31 72.34 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.733 1.622 . . . . 0.0 111.169 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -126.86 87.98 55.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.76 -31.29 91.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.701 1.601 . . . . 0.0 111.188 -175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.42 -9.94 59.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -172.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.55 -4.89 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -60.86 106.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.37 -5.01 67.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -77.34 -47.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.23 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.77 169.07 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.0 m -95.59 101.36 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.38 130.32 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -126.18 -17.81 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.35 -173.91 27.38 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -159.95 129.9 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.269 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.9 130.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.9 p -115.12 -20.59 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -147.01 140.07 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.83 22.23 26.37 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.24 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.84 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.49 -41.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.92 -52.25 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.64 -29.81 67.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.6 p -96.02 13.27 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.222 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -61.23 144.66 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.39 149.95 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.99 110.05 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.244 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.1 7.57 52.23 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.27 130.3 46.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 0.0 111.136 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -94.92 132.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -173.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.0 ttp -88.53 136.04 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.03 -52.05 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 41' ' ' ASN . 25.2 pt-20 -166.92 162.71 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -178.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.2 t -130.0 132.5 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.75 154.5 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.02 131.24 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -129.93 160.37 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -122.08 137.59 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -131.17 129.73 22.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.001 -11.344 0 C-N-CA 121.646 1.564 . . . . 0.0 111.205 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.91 142.83 22.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.87 150.34 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.33 131.92 38.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.49 -175.0 14.71 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -153.99 147.08 24.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.249 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -106.39 101.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 165.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.44 122.53 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 mtt -95.07 152.7 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.02 -20.37 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.264 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.69 1.38 56.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.07 7.74 69.87 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.38 63.87 4.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.22 126.25 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 111.19 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -116.3 116.02 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -100.85 135.34 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.32 161.02 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.248 -169.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -120.24 141.32 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.42 154.01 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.85 80.53 25.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.47 -14.89 43.93 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.613 . . . . 0.0 111.199 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -69.85 -29.48 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.64 -35.45 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.94 79.04 23.58 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.32 -48.83 19.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.691 1.594 . . . . 0.0 111.186 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.98 -51.37 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.1 m -63.39 -44.6 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.23 -43.23 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.1 85.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.42 -49.2 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.93 -46.09 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.59 -50.07 71.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.52 -49.7 76.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.59 -49.76 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.59 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.85 -23.11 60.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.62 1.97 39.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.99 63.82 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.64 -58.13 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -70.12 -26.47 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -61.82 110.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.53 32.06 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.26 168.99 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -124.97 174.29 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.4 96.51 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -71.41 -23.01 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.04 90.09 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.84 129.99 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.5 mt -122.23 94.29 48.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.64 128.97 32.52 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.654 1.569 . . . . 0.0 111.223 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.21 67.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 176.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -130.01 -96.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 111.202 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.98 177.07 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.9 p -146.58 146.0 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -124.69 134.72 52.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.95 -173.81 25.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.55 18.01 55.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.91 121.65 72.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.41 -21.93 7.21 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.714 1.609 . . . . 0.0 111.208 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -85.44 -32.8 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.08 6.69 89.24 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -110.13 6.7 23.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -12.94 67.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -103.9 134.14 47.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.75 168.87 54.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -133.77 59.6 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.707 0.289 . . . . 0.0 111.201 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.43 167.65 28.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.99 92.16 0.14 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.21 149.56 25.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.8 m -87.44 103.21 15.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mm -112.53 101.16 52.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.08 143.07 94.01 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.731 1.621 . . . . 0.0 111.18 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.11 64.13 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.88 122.83 24.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.225 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -118.86 -21.53 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -61.35 108.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.231 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.0 t30 57.81 41.25 25.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -147.14 74.96 11.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.68 140.51 90.71 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.712 1.608 . . . . 0.0 111.212 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.42 51.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.42 131.57 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -100.14 76.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.1 m -112.65 -178.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.9 m -53.53 118.05 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.01 -7.42 67.22 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 129.66 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 60.8 ttm -116.88 123.75 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -132.26 155.42 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.4 tpp -94.87 133.49 38.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.82 144.97 52.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -155.73 165.19 37.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.07 38.65 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.66 -177.63 16.96 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -69.22 139.95 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.768 0.318 . . . . 0.0 111.179 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 58.08 34.89 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -149.38 69.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.16 161.36 15.59 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.5 p -117.73 -173.08 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 111.225 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.8 p -90.58 -0.45 57.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.87 149.95 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.05 159.26 42.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -111.6 144.69 40.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 115.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 165.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.3 t -81.75 139.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -98.22 -40.35 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -136.22 153.83 76.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.0 Cg_exo -52.66 121.94 10.04 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.69 1.593 . . . . 0.0 111.172 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -126.07 94.01 42.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -56.01 -32.77 87.38 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.679 1.586 . . . . 0.0 111.188 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -79.17 -9.84 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.49 -2.7 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.46 133.73 51.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.27 5.03 89.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.3 t -81.97 -49.67 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -110.77 169.9 8.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.0 m -89.73 99.45 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.0 t -78.16 129.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.275 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -138.61 -13.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.08 155.16 22.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -139.97 121.01 14.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.76 134.48 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.6 p -116.18 -21.76 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.3 t -148.41 140.19 23.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.51 35.25 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -172.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.6 mtp -64.61 -26.31 68.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.08 -41.2 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 172.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.71 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.36 -51.37 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 174.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -50.62 -49.66 56.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.2 p -112.15 50.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 95.3 mtp -65.12 146.71 54.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 173.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -91.42 133.52 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -66.19 121.96 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.28 10.45 77.66 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 135.88 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.192 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.88 129.19 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -175.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 75.6 mtm -80.74 100.09 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.23 -45.97 90.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -152.11 113.81 4.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.93 115.34 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -129.98 149.94 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.3 t -135.27 127.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.93 132.48 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.33 133.25 45.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -86.64 149.43 48.64 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.25 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 1 C--O 1.0 -11.411 0 C-N-CA 121.697 1.598 . . . . 0.0 111.196 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.09 139.67 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -140.0 150.05 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -144.77 138.04 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.71 -176.38 17.69 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -154.91 151.46 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.7 111.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 169.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -89.25 125.66 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -88.04 160.24 17.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.42 -16.22 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -88.69 0.36 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.182 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.22 4.57 71.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 104.18 2.0 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -94.94 114.82 26.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.18 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.03 119.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.63 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -144.95 157.44 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.36 145.47 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.53 155.95 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.1 75.67 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.15 -19.07 45.33 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.751 1.634 . . . . 0.0 111.178 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -69.29 -28.75 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -99.97 -32.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.13 75.63 53.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.13 -57.18 2.15 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.66 1.573 . . . . 0.0 111.209 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.45 -50.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -170.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.6 m -60.15 -49.72 76.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.76 -41.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -46.44 88.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.9 -42.29 94.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.03 -50.94 71.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.0 -43.86 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.3 -49.78 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -58.48 -46.8 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.95 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -67.16 -31.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -81.74 1.14 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 23.06 75.79 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.06 -57.79 7.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.03 -27.19 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.217 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -61.66 110.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.79 30.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.3 mt -88.59 173.58 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 p -128.93 174.02 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -170.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 68.3 m-85 -99.79 96.22 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 166.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -71.05 -32.27 68.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -119.32 76.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 -172.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 74.5 t -101.32 119.67 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.89 101.11 53.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.34 132.75 54.06 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.691 1.594 . . . . 0.0 111.238 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.15 8.7 87.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -133.43 -77.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.315 . . . . 0.0 111.169 177.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.77 139.57 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.229 -172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -117.25 100.62 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -96.56 134.09 40.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -159.55 -166.27 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.74 13.76 64.32 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.2 t -77.61 125.67 85.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.184 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.22 -20.98 14.05 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.69 1.593 . . . . 0.0 111.236 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -90.33 -25.46 20.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.82 15.98 80.6 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -102.9 -1.49 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.83 -20.0 52.35 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -130.57 121.1 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.41 -171.09 45.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -135.44 88.29 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.241 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.65 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.31 82.78 0.19 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -97.76 143.17 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -86.31 94.59 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.248 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -122.45 107.69 34.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.01 156.24 65.92 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.756 1.637 . . . . 0.0 111.108 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.2 t -63.05 99.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.74 82.4 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -103.79 -2.57 26.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.15 100.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.186 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 55.24 38.22 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -173.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -148.75 77.45 9.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.04 129.38 32.87 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.656 1.57 . . . . 0.0 111.215 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -86.68 58.3 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -80.81 117.99 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -101.15 86.48 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.438 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.0 m -125.69 -174.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -49.94 117.9 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.98 -17.57 52.06 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 141.55 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.179 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mtp -115.32 127.15 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -139.21 139.23 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 101' ' ' PHE . 99.6 mmm -81.6 148.43 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.7 104.69 6.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -119.93 149.84 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -120.01 41.83 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.0 178.88 18.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -64.84 147.38 53.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 53.44 29.97 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -150.5 81.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.94 155.36 16.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 p -106.24 -177.64 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 0.0 111.214 175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.22 -1.2 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -90.4 150.0 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' HB3' ' SD ' ' A' ' 89' ' ' MET . 32.2 p90 -138.64 170.1 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.24 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -148.98 148.2 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.7 mt -109.64 131.34 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.42 135.13 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.251 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -97.67 -37.55 9.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -133.5 157.22 78.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.0 Cg_exo -51.35 121.65 8.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 121.693 1.595 . . . . 0.0 111.188 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -127.87 90.0 49.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.96 -30.3 68.55 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.678 1.586 . . . . 0.0 111.244 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.04 -18.77 59.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.4 mp -91.85 -15.74 27.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -61.58 126.57 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 3.73 90.29 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.6 t -87.48 -49.58 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -115.26 171.72 7.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.215 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.6 m -94.33 109.75 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.09 133.34 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 172.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.67 -15.93 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -168.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.15 -176.79 33.64 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -156.95 133.59 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.243 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -71.93 137.66 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.234 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 65.1 p -116.69 -29.44 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.249 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.7 t -143.23 128.81 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.11 10.68 64.06 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.54 -42.58 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 111.233 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -64.9 -37.59 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.0 -40.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.22 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.67 -43.62 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -58.73 -36.18 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.3 p -113.99 28.6 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.49 149.9 45.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.249 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.98 149.84 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 62.7 t30 -70.17 131.14 43.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.19 16.48 62.67 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.98 130.01 44.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.122 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.23 128.98 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 -172.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -83.77 100.9 11.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.73 -45.53 92.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -152.18 112.7 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.8 t -109.06 117.12 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -129.87 142.04 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.3 t -134.77 127.76 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 173.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -120.97 138.01 54.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -175.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -76.62 129.98 37.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.72 149.96 75.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 1 C--O 1.0 -11.387 0 C-N-CA 121.697 1.598 . . . . 0.0 111.241 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.77 0.319 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.57 168.44 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HG3' ' HB2' ' A' ' 19' ' ' LEU . 17.2 ptpt -149.08 163.62 37.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -129.8 175.65 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.03 172.19 33.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -146.82 128.88 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 111.157 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 15' ' ' ILE . 94.9 mt -102.0 114.21 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 173.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -90.82 120.25 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 168.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.2 mmm -89.98 152.42 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -60.26 -25.72 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -90.4 9.43 29.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.81 10.48 69.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 138.66 39.73 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -118.65 93.31 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.144 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 71.9 mt -108.69 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -175.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -101.52 132.01 47.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.55 159.52 41.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.271 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -108.3 156.03 19.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' A' ' 3' ' ' LYS . 97.3 mt -115.73 154.88 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -123.3 78.59 53.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.56 -14.95 40.8 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.634 1.556 . . . . 0.0 111.229 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -87.42 -9.79 53.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.1 -29.99 7.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.92 75.47 24.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -53.43 -53.92 5.81 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.714 1.609 . . . . 0.0 111.171 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.48 -48.34 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.2 m -61.57 -47.67 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.21 -41.51 91.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.257 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -66.32 -39.95 89.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.245 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.99 -49.94 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.69 -50.0 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -56.0 -56.99 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.51 -42.97 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -49.74 76.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -71.56 -21.68 61.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -81.35 -7.9 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.79 14.85 56.01 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -79.99 -17.81 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -102.1 17.76 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 171.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -103.73 113.07 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.21 11.31 39.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 mt -81.29 153.36 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 m -112.98 147.44 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 72.3 m-85 -88.8 104.73 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 169.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -86.2 -20.92 27.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -166.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -141.79 87.09 2.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -98.91 122.55 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -119.87 96.88 49.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -54.99 127.21 25.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.729 1.62 . . . . 0.0 111.215 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.41 -2.05 70.32 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -129.94 -71.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.365 . . . . 0.0 111.209 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -165.44 135.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -171.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.17 100.6 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 171.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -89.98 129.23 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -168.79 -150.93 6.91 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.87 23.7 68.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -102.83 121.91 47.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.219 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -61.53 -37.22 72.01 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.213 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -91.28 -18.05 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.195 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.89 75.14 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -121.73 8.09 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.152 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.43 -3.74 72.47 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -91.57 114.24 26.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 111.217 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.03 108.72 2.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.87 41.81 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.52 -24.15 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.6 72.41 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -130.8 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 p -133.6 160.22 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.59 109.98 35.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.59 144.92 72.64 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.732 1.621 . . . . 0.0 111.161 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.3 t -62.1 102.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -77.32 129.48 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.6 m -127.48 119.19 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.243 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.71 -150.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -27.36 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -59.88 119.52 41.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.98 -29.08 81.25 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.717 1.611 . . . . 0.0 111.211 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 62.63 61.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -79.39 138.47 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -113.21 92.06 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.1 m -122.29 -170.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -54.0 117.2 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' SD ' ' A' ' 125' ' ' MET . . . 100.96 -18.85 54.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.07 127.99 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.3 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.5 mtp -103.38 118.58 37.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -136.91 140.05 42.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 97.1 mmm -78.69 153.93 30.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 -175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.33 140.18 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -154.34 173.45 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -133.35 44.38 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.18 168.33 11.34 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.16 139.67 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.261 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 51.59 31.65 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -149.96 75.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -136.39 -177.5 15.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 p -119.88 -176.03 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.3 p -80.07 -8.4 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -71.58 153.08 42.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -150.03 -179.15 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.08 149.65 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.5 121.74 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.3 140.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.249 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -95.31 -36.28 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -136.75 155.87 76.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 82.0 Cg_exo -49.55 121.23 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.7 1.6 . . . . 0.0 111.234 175.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -125.85 92.74 45.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -54.62 -29.27 60.02 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.187 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.92 -16.89 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.81 -13.49 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.68 116.76 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.04 2.26 86.13 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -86.88 -49.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 111.193 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.59 169.57 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -91.21 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.6 t -89.01 133.87 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -132.97 -17.84 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.85 -176.82 30.34 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -160.0 129.88 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.2 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.65 131.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.6 p -118.81 -23.7 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 -173.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -144.79 136.66 25.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.236 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 85.91 16.13 63.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.403 ' SD ' ' HA2' ' A' ' 85' ' ' GLY . 14.6 tpt -55.77 -30.03 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 111.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.9 -40.14 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.04 -34.74 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.38 -45.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.73 -33.15 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 82.0 p -100.99 15.61 28.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.8 ttm -62.44 148.68 44.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.71 150.13 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.222 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.11 123.4 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.23 -5.16 31.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.35 140.13 58.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.23 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.44 138.69 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.4 mtm -79.97 100.01 7.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.46 -43.15 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -159.98 120.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 73.6 t -111.06 120.15 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -126.49 149.98 49.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.3 134.17 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.18 148.08 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -75.68 82.9 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -116.95 93.99 43.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 1 C--O 1.0 -11.402 0 C-N-CA 121.662 1.575 . . . . 0.0 111.289 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.31 154.71 41.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -122.75 147.02 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.202 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.22 168.66 19.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.56 160.69 28.88 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -148.77 129.94 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 111.193 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -114.22 119.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.188 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -97.27 129.97 44.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mmt -99.34 154.7 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.67 -21.27 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -90.05 9.02 29.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.2 2.51 70.92 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.99 141.51 43.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -128.97 107.64 9.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -114.72 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -109.08 132.73 53.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.0 p90 -149.22 165.07 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -171.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -108.55 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -113.53 141.26 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -127.61 88.47 53.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -170.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -54.13 -29.45 55.99 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.681 1.587 . . . . 0.0 111.22 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.18 -29.63 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.57 -39.9 21.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.83 90.58 2.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -55.64 -60.75 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.732 1.622 . . . . 0.0 111.2 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.22 -40.48 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -172.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.3 m -58.88 -48.85 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.245 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 -42.47 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.95 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.08 -49.69 73.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.62 -44.96 96.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.75 -50.16 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.77 -43.54 98.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.42 93.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.55 -32.74 74.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.33 -7.45 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.86 20.19 66.07 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.49 -50.9 56.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 111.243 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -71.56 -22.66 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -69.95 101.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.18 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.26 -3.93 47.8 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.11 146.62 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.2 p -120.64 160.39 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -171.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.98 172.3 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.187 168.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -142.76 -24.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -139.94 79.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.272 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.3 t -89.78 129.19 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mt -127.14 91.09 47.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.222 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.25 130.06 38.15 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.722 1.614 . . . . 0.0 111.185 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.73 -6.95 70.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -129.79 -87.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -160.08 134.02 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 p -99.97 132.26 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -112.69 128.66 56.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.227 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.58 -174.89 17.24 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.53 33.41 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -122.96 153.18 63.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.23 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.32 -24.1 8.19 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.734 1.623 . . . . 0.0 111.191 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.91 -0.0 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 31.35 56.72 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.96 4.69 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.33 4.99 85.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -124.23 130.04 51.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 111.194 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.78 157.74 51.78 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.95 0.0 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.67 -53.04 8.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.91 18.21 80.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -100.1 159.97 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.7 m -110.52 119.77 40.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.8 mt -107.55 128.53 25.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.12 144.67 38.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.726 1.617 . . . . 0.0 111.174 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.18 121.02 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -108.8 138.68 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -12.63 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -110.09 150.03 29.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -100.0 -34.26 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 5.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -80.09 150.03 70.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.29 161.65 45.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.603 . . . . 0.0 111.083 178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -107.51 115.59 30.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.189 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -112.47 140.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HD1' ' HA ' ' A' ' 112' ' ' ASP . 55.7 m80 -115.6 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.9 m -131.12 178.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.7 m -44.84 110.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.38 58.91 1.79 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.27 149.47 47.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.291 . . . . 0.0 111.232 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.63 121.63 29.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.162 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' HG22 ' A' ' 117' ' ' VAL . 96.2 p -135.04 160.12 39.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.6 mmm -97.0 143.66 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.27 138.17 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -152.64 171.32 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.75 36.13 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.71 -170.47 21.59 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -72.98 130.07 39.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 111.181 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 60.33 41.62 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.9 p -130.0 2.85 4.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 139.03 37.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 54.3 p -112.41 -176.7 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 111.21 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.0 -5.4 55.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.242 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.85 146.81 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -145.33 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -168.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -110.85 138.35 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.239 173.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.6 116.53 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 165.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.22 131.12 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -166.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -97.67 -38.18 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.234 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -135.52 159.84 70.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 87.1 Cg_exo -49.7 127.15 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.734 1.622 . . . . 0.0 111.218 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -132.41 89.98 35.08 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.266 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -52.91 -30.02 46.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.731 1.621 . . . . 0.0 111.182 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -56.81 -39.99 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -99.1 -19.2 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HD1' ' A' ' 82' ' ' HIS . 10.3 t70 -61.34 119.54 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.91 4.59 87.01 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.35 -50.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -101.94 154.89 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -76.37 109.92 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.436 HG22 ' HB3' ' A' ' 88' ' ' SER . 91.6 t -79.04 137.31 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -131.97 -20.46 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -142.81 165.39 26.89 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -145.57 127.69 15.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.0 t -71.71 132.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.5 p -118.02 -28.47 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -147.45 141.28 25.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.214 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.79 10.76 59.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 11.2 tpt -46.62 -40.08 12.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.32 . . . . 0.0 111.204 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.44 -49.65 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.163 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -40.44 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.66 -50.0 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -67.7 -36.42 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 -175.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.5 p -95.06 20.75 8.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.209 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.3 ttm -57.48 141.21 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.98 149.79 21.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.484 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 61.2 t30 -65.06 128.21 34.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 15.87 65.92 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -43.76 131.23 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -109.03 127.82 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.1 mtt -73.39 146.38 45.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -104.12 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.234 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -159.19 129.97 5.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.42 130.05 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.18 152.13 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.49 154.07 31.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.206 170.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -133.06 126.51 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 -170.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -96.67 109.86 22.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -96.65 151.61 38.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 1 C--O 1.0 -11.404 0 C-N-CA 121.649 1.566 . . . . 0.0 111.201 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.11 155.05 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -130.14 174.09 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -138.9 164.41 29.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.5 164.02 29.35 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -142.78 129.12 19.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.7 mt -114.17 115.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 tp -90.92 123.86 34.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.7 mmm -90.0 156.53 18.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -60.28 -25.54 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -87.4 4.89 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.43 8.03 66.53 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.01 136.04 37.66 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.42 96.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.69 113.17 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -115.72 130.14 56.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.242 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -141.07 159.19 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -100.85 158.46 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.59 140.15 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -121.9 81.08 42.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.268 -169.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.21 -6.98 20.16 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.65 1.567 . . . . 0.0 111.157 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -68.13 -29.93 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.12 -27.2 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.4 72.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.96 -24.21 39.81 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.64 1.56 . . . . 0.0 111.161 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.71 -48.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -65.01 -43.85 91.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.53 -39.76 86.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -67.7 -37.22 81.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -56.98 -52.7 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.65 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.97 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.11 -43.99 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.75 90.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -82.63 -0.55 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -102.85 -4.58 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 17.16 53.54 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 173.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -80.07 -35.12 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.157 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.13 -9.97 29.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -77.82 79.79 4.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.27 29.75 0.77 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 153.89 42.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.154 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.4 m -117.63 119.94 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -73.1 101.17 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.42 -13.09 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.39 87.07 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.1 t -108.67 111.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 76.1 mt -121.37 105.72 38.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.42 128.57 29.8 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.3 -22.77 39.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -108.7 -102.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.94 160.09 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -176.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.0 m -110.44 113.88 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -103.59 127.1 51.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.37 -178.55 45.54 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.64 -170.97 39.07 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 47.8 t -97.86 138.53 21.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 111.269 177.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 86.4 Cg_exo -53.03 -30.5 49.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.651 1.568 . . . . 0.0 111.226 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.86 5.02 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.65 19.98 77.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.85 -30.06 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 111.226 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.54 -12.3 68.99 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -129.97 131.34 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.94 117.02 0.94 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -129.16 60.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 111.161 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.44 154.04 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.89 40.97 2.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -160.02 176.17 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.8 m -129.99 127.98 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.18 121.29 27.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.36 145.08 47.28 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.663 1.576 . . . . 0.0 111.164 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.5 t -67.98 126.93 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.71 109.93 10.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.0 p -128.05 -9.98 5.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.265 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.18 -2.3 40.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -109.89 -168.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -49.39 142.77 10.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -51.54 139.03 47.86 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.745 1.63 . . . . 0.0 111.198 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -110.04 77.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.74 140.02 34.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -99.45 80.11 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.8 m -117.09 179.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.6 m -48.96 112.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.96 -31.13 7.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.54 138.93 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.4 ttp -122.36 124.34 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t -126.52 144.44 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -167.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.0 tpp -90.09 129.86 36.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.06 142.17 50.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -103.79 120.06 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 58.9 ttp180 -79.97 67.97 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.59 179.66 28.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -60.06 121.02 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 53.52 46.91 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.5 m -141.67 72.59 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -57.55 137.15 49.93 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.2 p -98.12 -160.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.19 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.12 -11.95 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.05 130.92 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -135.38 168.87 18.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -146.13 152.59 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.22 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.3 mt -108.92 133.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.263 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -88.73 129.72 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -170.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -81.68 -47.96 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -137.5 158.9 71.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.256 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 68.7 Cg_exo -47.9 124.57 10.17 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.674 1.583 . . . . 0.0 111.221 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -119.3 94.89 48.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.244 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -55.85 -30.85 78.71 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -80.02 -9.9 59.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.25 -21.44 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -59.91 106.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.11 -5.08 52.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.44 -46.96 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.8 177.19 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.6 m -108.54 112.31 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.33 128.16 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 172.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -128.88 -15.68 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -145.03 178.22 22.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -158.13 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 111.221 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.2 130.45 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.2 p -113.33 -20.91 11.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -146.35 140.05 26.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 174.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.13 18.93 41.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.3 tpt -54.78 -41.53 70.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.76 -49.85 74.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.62 -50.08 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.9 t -57.96 -47.53 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -69.99 -19.95 63.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 63.7 p -102.79 17.77 23.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.247 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.7 mtt -64.03 159.88 19.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.35 160.17 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -65.32 110.07 2.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.39 9.65 38.06 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -63.87 129.04 38.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.3 139.95 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 66.5 mtt -73.4 154.96 39.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -114.08 -48.65 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -149.9 117.04 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.06 122.74 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -137.57 142.48 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.2 t -124.1 137.58 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.56 154.38 48.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.256 -174.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -84.5 80.72 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.34 90.07 33.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 1 C--O 0.999 -11.452 0 C-N-CA 121.712 1.608 . . . . 0.0 111.204 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 152.2 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -129.5 152.13 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -134.94 173.51 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 173.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.25 179.29 40.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -151.14 148.44 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 111.244 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.16 103.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 170.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 53.2 tp -80.59 120.36 24.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 174.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.4 mmm -90.02 145.22 25.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.62 -27.05 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.63 18.63 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.01 60.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 167.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.77 54.66 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -161.39 110.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.204 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.51 114.23 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.68 131.08 45.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -140.2 159.75 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -172.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -105.95 160.2 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.49 154.31 32.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -130.06 82.82 65.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.82 -32.94 79.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.654 1.569 . . . . 0.0 111.186 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.12 -31.96 71.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -78.27 -40.04 38.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.52 85.15 6.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -54.62 -59.56 0.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.675 1.583 . . . . 0.0 111.155 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.84 -41.93 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -47.91 83.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.74 -46.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -50.15 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.253 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.41 -44.85 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.05 -47.05 78.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.235 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.88 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.55 -42.61 88.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.22 -50.75 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -45.3 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -80.47 -3.53 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -99.94 5.19 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.59 19.79 77.51 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.1 -56.03 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -68.39 -24.97 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.52 109.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -5.76 33.03 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -89.99 160.01 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.4 p -119.8 166.09 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.2 99.92 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -80.18 -15.39 57.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.19 80.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.52 124.66 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mt -130.84 88.45 46.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.24 136.74 61.78 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.697 1.598 . . . . 0.0 111.253 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.61 -4.46 83.79 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.71 -111.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.33 123.16 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -94.9 154.8 17.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -134.98 137.58 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.207 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.1 26.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 113.9 22.79 5.2 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 99.3 m -119.03 133.66 23.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 73.9 Cg_exo -56.61 100.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.73 1.62 . . . . 0.0 111.15 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 52.88 29.95 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.4 32.72 84.47 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -86.58 -13.57 45.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.187 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.91 -61.1 4.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.5 m -70.16 84.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 111.186 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.48 177.53 54.09 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -129.69 60.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.76 91.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.05 80.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.9 137.63 54.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -140.69 107.97 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.9 pt -130.03 159.41 70.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.35 157.09 25.75 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.719 1.612 . . . . 0.0 111.204 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.04 110.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.05 140.03 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.4 p -121.92 -13.1 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.3 m-20 -109.97 150.05 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.269 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 70.7 m-80 -99.37 -23.45 15.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 5.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -100.03 150.13 36.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -171.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.17 155.68 18.71 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.716 1.61 . . . . 0.0 111.252 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.34 67.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.202 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -87.32 147.48 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -98.85 75.9 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.87 -175.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.5 m -52.58 111.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.48 -10.68 65.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.58 144.96 19.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.5 mtp -126.19 122.17 34.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.201 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -126.71 166.18 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.5 ttm -109.78 134.71 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.04 127.75 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -135.32 155.05 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.224 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -130.0 9.93 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.62 -131.67 4.27 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.27 138.09 36.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 58.25 54.96 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.3 p -132.16 -10.06 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.0 154.95 49.34 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.8 p -151.71 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.5 p -134.71 -2.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -74.49 120.44 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -131.28 165.74 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.211 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -115.64 153.45 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 69.5 mt -125.39 112.36 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 162.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -80.68 125.65 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.244 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -91.57 -48.74 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -119.91 146.89 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -52.72 137.88 59.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.245 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -129.89 97.41 23.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -57.16 -32.18 92.68 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.659 1.572 . . . . 0.0 111.202 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -69.76 -19.0 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -171.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.32 -4.45 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -63.65 107.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.02 -4.94 68.29 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.61 -46.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.186 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.27 170.87 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.5 m -94.34 108.68 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.27 129.92 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -126.47 -15.94 5.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -155.27 -176.02 26.98 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -159.89 127.74 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.186 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.32 134.9 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -116.45 -21.98 8.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.4 t -154.47 140.25 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.256 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.83 6.97 57.91 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.9 -28.66 57.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 111.198 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.8 -30.14 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.201 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.04 -39.59 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.68 -43.03 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.97 -40.01 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.0 p -105.73 15.08 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.4 ttm -70.02 135.57 49.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.67 140.88 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -59.48 109.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 172.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.79 19.96 41.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -59.03 134.0 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.7 t -85.57 130.12 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.8 mtm -81.27 99.99 8.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.189 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.74 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . 80.5 tt0 -150.08 110.17 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.87 117.39 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -129.79 149.21 51.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.22 141.9 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -145.57 164.88 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.43 140.34 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -159.89 79.87 2.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.258 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.725 1.617 . . . . 0.0 111.163 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.69 164.93 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -101.46 135.3 43.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.18 164.63 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 142' ' ' VAL . . . -158.05 172.73 35.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -158.3 159.95 36.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 tt -144.17 134.17 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.42 140.01 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.4 mtp -93.83 161.08 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -70.85 -10.81 60.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -85.52 -0.05 53.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.12 66.47 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 152.35 39.58 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -130.97 122.49 26.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.71 117.12 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -111.16 129.98 55.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -138.39 157.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 -171.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -103.18 155.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.04 152.62 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.28 79.16 73.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -54.92 -31.65 74.56 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.658 1.572 . . . . 0.0 111.208 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.72 -30.58 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -86.82 -41.67 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB1' ' HB ' ' A' ' 27' ' ' THR . . . -143.54 85.22 9.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -55.14 -59.76 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.655 1.57 . . . . 0.0 111.164 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -72.31 -37.84 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.407 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.1 m -58.54 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.84 -42.53 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.35 69.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.251 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.3 -45.22 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.8 -43.65 90.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.21 -40.09 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -47.51 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.8 -48.89 78.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.33 95.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -66.87 -29.9 69.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -81.39 -5.01 57.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.06 24.58 71.23 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.64 -42.28 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.147 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 43' ' ' LEU . 98.8 m-85 -83.37 -3.49 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -173.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -69.93 101.05 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.38 -5.04 29.84 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' TYR . 33.4 mt -80.06 170.86 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.17 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -128.2 169.61 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.52 149.51 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.05 -42.2 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -174.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -154.77 86.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.184 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.38 129.27 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.63 95.07 43.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.06 118.72 5.29 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.161 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.41 -13.1 56.96 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -134.68 -167.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.224 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.97 139.09 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -121.08 139.67 53.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -107.88 129.97 55.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.224 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.2 173.84 27.2 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.58 36.13 1.95 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 174.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m -119.26 146.41 40.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 111.28 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.91 -21.25 11.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.18 0.02 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 25.84 74.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -96.82 1.91 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.22 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.19 78.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -126.22 119.96 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.13 161.13 50.49 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -129.99 20.36 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 111.153 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.43 -50.48 31.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.86 -7.81 73.64 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -75.26 155.34 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -121.43 118.33 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.206 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.41 128.26 28.65 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 95' ' ' ASP . 89.2 Cg_endo -78.3 153.02 27.5 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.754 1.636 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.6 t -75.13 111.04 9.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -117.13 50.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.2 p -94.1 1.25 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -100.1 20.0 15.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -99.65 -120.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.38 151.95 78.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.214 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.52 146.19 34.57 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.758 1.639 . . . . 0.0 111.228 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -141.95 154.96 45.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.54 126.9 21.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -84.81 76.36 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.9 m -111.75 -172.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.4 m -53.12 117.62 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -19.95 49.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.79 141.62 52.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -171.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.0 mtp -125.58 126.04 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.4 p -136.96 144.5 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.91 143.25 30.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.95 128.34 35.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.426 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 33.4 p80 -157.61 178.19 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 169.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -130.03 -0.37 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.05 -165.49 38.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -70.02 121.82 18.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.509 ' H ' ' HA ' ' A' ' 72' ' ' PRO . 66.1 m-20 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.4 p -128.82 0.77 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -73.54 142.33 31.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -171.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.4 p -113.08 -171.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.166 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.97 -8.61 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.29 146.28 49.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -137.36 157.52 46.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -116.45 133.26 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.5 mt -112.04 121.43 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.8 t -92.97 135.21 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -98.96 -30.05 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.05 136.64 26.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 -171.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 80.5 Cg_exo -46.48 118.48 2.57 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.703 1.602 . . . . 0.0 111.16 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.4 90.63 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -56.35 -25.84 59.15 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.656 1.571 . . . . 0.0 111.243 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -62.67 -22.74 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.33 -17.3 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.37 128.37 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.74 -8.52 79.18 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -89.9 -42.45 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.09 157.04 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.4 m -90.07 108.56 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.03 132.67 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -127.46 -18.94 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -165.91 -175.3 36.23 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -158.74 130.76 6.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.226 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.26 132.18 31.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 79.9 p -115.57 -27.06 7.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.7 m -138.2 148.11 44.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.63 55.84 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 79.8 mmm -59.59 -28.97 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.222 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.61 -33.02 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.85 -45.21 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.51 -44.81 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -77.6 -9.98 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.8 p -113.19 16.0 19.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.0 mtt -64.96 154.99 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.249 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.91 154.28 44.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -67.01 110.33 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 5.91 33.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.81 150.7 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.52 133.18 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 61.7 mtm -88.11 115.22 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 -51.49 64.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -165.75 159.96 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -173.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.53 139.93 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.254 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -145.11 150.31 36.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.7 m -128.75 164.42 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.59 153.84 23.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.99 120.01 30.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -80.22 119.33 76.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo . . . . . 1 C--O 0.999 -11.433 0 C-N-CA 121.648 1.565 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.08 165.41 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -139.99 148.38 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -130.41 171.66 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.13 159.31 28.05 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -145.33 129.09 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.3 mt -113.09 119.44 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.98 129.84 44.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 169.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.6 mmt -98.16 152.61 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 -175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.61 -19.59 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.07 1.52 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 -0.71 59.96 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.64 142.06 43.25 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.13 105.88 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.212 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -114.81 108.67 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.243 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -107.74 131.9 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 31.6 p90 -146.92 164.34 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -170.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.35 147.26 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.39 149.97 24.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -130.48 83.43 62.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.27 -29.77 48.61 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.753 1.635 . . . . 0.0 111.18 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.44 -28.13 67.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -83.38 -40.84 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.54 88.1 4.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.201 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -54.95 -59.8 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.686 1.59 . . . . 0.0 111.218 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.59 -40.11 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.2 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -61.15 -45.48 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.59 -42.46 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.37 85.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -67.16 -37.37 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.46 -51.28 67.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.243 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.12 -46.77 87.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.63 -47.06 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.248 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -57.33 -48.45 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.07 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.93 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.36 -5.47 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.4 21.01 61.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.49 -55.71 21.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 0.0 111.115 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -73.69 -26.89 60.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -70.02 101.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.86 4.68 56.77 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD21 ' HA2' ' A' ' 57' ' ' GLY . 16.1 tp -72.87 145.31 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -119.58 146.52 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.202 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -90.31 154.57 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 172.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -131.58 -14.91 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 88.0 mmt-85 -139.92 76.63 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 133' ' ' ASN . 95.2 t -89.95 124.64 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.188 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.12 92.93 44.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.202 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.02 133.0 55.05 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.743 1.628 . . . . 0.0 111.218 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.25 84.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.1 -84.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.3 140.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.242 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.2 p -108.4 134.4 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 47' ' ' ARG . 63.1 tt0 -114.48 130.54 56.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.01 -178.42 16.35 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 137.13 15.53 0.79 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.8 151.91 44.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.29 -22.73 5.61 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.653 1.569 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -123.77 -20.08 5.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.49 21.86 42.6 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -94.52 5.11 52.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.0 -7.33 62.56 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -96.27 122.28 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.198 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.96 142.52 45.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.23 -70.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.54 -49.78 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.13 19.41 78.57 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -69.03 149.97 48.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.715 0.293 . . . . 0.0 111.244 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -90.96 124.44 35.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.73 128.84 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.92 152.89 25.18 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.614 1.543 . . . . 0.0 111.288 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.29 123.47 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -118.44 134.08 55.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.6 p -120.76 -11.22 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -110.02 148.95 30.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -98.22 -30.96 12.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 5.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -88.42 150.09 45.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.8 172.0 17.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.709 1.606 . . . . 0.0 111.195 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -117.18 145.12 44.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -174.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -137.59 129.36 28.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -103.36 82.68 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 35.2 m -125.46 179.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.211 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.3 m -45.76 111.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.87 56.79 2.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.03 146.39 50.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.246 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.65 122.23 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.2 p -135.99 157.05 47.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 99.5 mmm -95.03 140.04 30.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 176.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.04 133.03 36.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -156.01 179.24 9.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.82 32.64 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.178 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.46 -173.31 21.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -69.98 121.21 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.18 39.58 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 80.5 p -129.84 3.33 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.94 54.2 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.2 p -121.24 -169.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 20.1 p -79.3 -9.04 59.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.212 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -75.78 149.98 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -148.26 159.68 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.23 139.08 48.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.0 mt -116.16 116.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 162.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.1 t -86.01 130.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.215 -167.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -93.98 -37.93 11.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -141.66 157.84 64.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 173.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 47.0 Cg_exo -45.25 121.05 3.45 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.725 1.617 . . . . 0.0 111.231 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -129.91 97.14 24.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.97 -30.06 76.22 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.676 1.584 . . . . 0.0 111.205 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.67 -36.87 72.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.96 -22.89 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.8 120.03 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.84 5.15 84.2 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.31 -40.82 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.241 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -112.31 169.98 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.1 m -96.48 109.92 22.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -176.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.84 133.4 30.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -122.19 -14.72 7.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -174.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.09 168.31 36.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -141.72 142.81 33.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.213 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.465 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 87.3 t -77.54 133.63 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -116.08 -24.73 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t -145.01 139.51 27.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.26 53.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.4 mtp -61.13 -35.04 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.193 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.8 t -59.05 -40.79 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.54 -51.96 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -55.66 -40.07 71.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 41.4 p -106.77 40.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -56.0 140.11 44.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.18 149.93 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 55.9 t-20 -66.68 115.61 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.49 23.28 58.72 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -44.8 132.83 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.43 131.56 62.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.16 147.94 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.12 -48.52 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -157.19 130.0 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.5 t -124.24 129.96 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -123.34 149.11 45.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.3 138.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -125.16 108.7 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -171.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.88 129.94 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -111.4 154.95 43.54 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 1 C--O 1.0 -11.394 0 C-N-CA 121.743 1.628 . . . . 0.0 111.195 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.8 0.333 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.32 26.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 47.8 mttm -129.94 155.91 45.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 140.46 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.17 179.52 19.36 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.22 150.01 31.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -116.35 113.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 172.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -89.97 122.21 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 169.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 86.8 mmm -90.14 151.38 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -59.97 -26.38 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.232 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -92.82 15.07 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.94 74.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 170.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.13 151.64 49.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.03 119.98 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.68 102.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -91.32 138.31 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -144.55 158.92 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -172.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.42 136.68 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 3' ' ' LYS . 84.3 mt -104.52 144.63 31.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.188 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -122.78 95.04 46.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.03 -30.18 58.36 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.663 1.575 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.7 -36.5 81.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.18 -43.47 67.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.69 93.22 1.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.8 -47.42 26.77 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.663 1.575 . . . . 0.0 111.247 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.15 -47.32 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.3 m -62.83 -44.72 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.25 -45.99 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.27 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.91 85.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.202 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.64 -43.89 88.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.3 -48.59 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.94 -49.96 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.243 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.02 -53.98 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -58.59 -49.73 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.52 83.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -79.43 -3.97 48.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.217 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.63 -0.01 38.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 172.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.59 20.58 63.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.83 -53.56 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.99 -22.42 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.189 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 109.89 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.26 -8.13 30.82 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.83 160.01 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 HG22 ' A' ' 136' ' ' VAL . 34.3 p -120.18 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -170.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.02 96.98 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 167.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -79.81 -14.79 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 -165.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -137.72 80.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.251 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -85.16 122.72 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.7 mt -131.85 86.55 47.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.95 137.63 73.45 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.755 1.637 . . . . 0.0 111.222 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.98 -10.54 70.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -137.79 -112.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.205 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.03 126.7 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -91.5 154.96 18.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.5 137.65 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.3 -175.32 27.13 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 22.02 6.47 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 70.9 m -116.45 132.29 23.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 -174.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 70.1 Cg_exo -56.93 106.43 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.712 1.608 . . . . 0.0 111.158 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 51.18 30.02 5.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.95 37.95 94.89 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -93.92 7.27 45.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.234 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.25 -76.78 1.91 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -84.19 123.36 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.67 -161.68 26.94 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -136.74 58.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -40.0 74.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 10.89 75.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -120.91 122.36 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -134.05 113.06 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 pt -129.29 158.0 74.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.43 155.23 36.39 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.737 1.625 . . . . 0.0 111.226 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.1 t -51.54 122.44 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 174.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -95.31 141.32 29.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.4 p -122.16 -15.86 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 77' ' ' ASN . 70.6 m-20 -108.48 149.83 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 69.6 m-80 -99.82 -30.2 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 6.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 97.9 m-20 -91.05 150.55 41.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -174.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' ASN . 67.7 Cg_exo -54.96 155.07 19.48 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.714 1.609 . . . . 0.0 111.16 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' HB3' ' H ' ' A' ' 117' ' ' VAL . 92.1 m-70 -120.1 70.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.179 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -90.02 133.8 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -83.76 71.75 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -82.84 -178.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -56.62 118.39 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.04 -11.29 69.58 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.67 143.77 29.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.7 mtp -125.89 117.87 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 96.2 p -122.24 153.12 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -175.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.0 tpp -90.25 134.28 34.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.78 122.53 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -134.84 147.67 49.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.196 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -120.0 -9.21 9.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.6 -136.64 4.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -82.76 130.53 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 56.41 49.68 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -121.68 -5.05 9.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.44 156.24 48.73 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.6 p -152.36 -128.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.97 -1.91 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -75.31 124.13 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -132.36 161.48 33.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -174.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -110.67 153.79 24.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.1 mt -125.98 111.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 163.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.11 118.5 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -80.05 -58.12 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -112.42 144.38 30.76 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -54.92 136.99 74.77 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.723 1.615 . . . . 0.0 111.227 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -126.95 90.14 50.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -56.34 -31.34 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.721 1.614 . . . . 0.0 111.218 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -76.24 -9.95 59.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.252 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.1 mt -98.54 -1.51 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -62.83 108.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.226 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.51 -5.02 70.19 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 78.1 t -76.62 -49.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -113.37 171.49 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.7 m -94.64 93.82 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 80' ' ' HIS . 96.4 t -62.82 120.67 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 171.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.71 -14.61 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.26 -177.36 23.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -159.13 129.88 6.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.18 134.32 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.9 p -111.45 -23.17 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -158.44 130.95 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.51 19.2 4.64 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.78 -30.63 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -64.52 -44.38 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.36 -38.15 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.22 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.1 -57.11 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -66.07 -23.8 66.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -173.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.1 p -100.16 7.09 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.0 ttm -64.99 139.24 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 135' ' ' ASP . 87.7 tttt -82.29 139.79 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -60.07 118.75 6.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.214 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.68 15.12 57.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 39.9 t0 -56.83 135.06 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.209 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 44' ' ' THR . 59.5 t -92.14 133.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -172.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.9 mtm -83.89 116.57 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.85 -41.9 20.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.47 113.01 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.8 t -111.72 115.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -129.22 148.57 51.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.01 142.09 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -143.3 170.37 15.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -80.22 137.08 36.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -160.1 70.91 3.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.19 -176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.392 0 C-N-CA 121.662 1.575 . . . . 0.0 111.144 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.52 159.96 19.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.27 139.17 45.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -152.37 -179.96 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.13 -173.83 40.5 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -154.33 158.63 40.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.36 111.5 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.9 tp -85.58 114.99 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 99.4 mmm -82.08 156.51 24.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.06 -26.39 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.261 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -89.98 0.27 57.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.53 69.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.87 65.01 4.02 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -69.95 128.41 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -120.0 154.42 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -123.58 139.94 53.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -141.16 164.11 31.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -123.15 156.68 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -114.61 159.04 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 -174.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -129.81 78.31 75.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.16 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.6 -17.6 57.32 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.713 1.608 . . . . 0.0 111.13 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.16 -23.38 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -98.1 -32.95 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.7 79.61 13.45 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -53.66 -52.4 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.64 1.56 . . . . 0.0 111.202 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.16 -49.94 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -173.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.2 m -65.0 -42.69 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -173.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.07 -44.37 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.98 78.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.269 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.45 -32.64 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.72 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 173.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.17 -46.47 85.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.29 -43.76 92.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.93 -49.41 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.8 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.54 -34.57 78.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -89.9 5.83 44.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.23 71.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -75.13 -10.42 59.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -111.52 9.3 21.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.263 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -98.36 119.53 37.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.221 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.66 5.98 73.85 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.26 166.56 18.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -122.91 165.06 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -86.4 115.35 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -47.57 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -158.6 120.12 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.16 120.3 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.5 mt -116.08 97.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.78 126.6 23.01 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.702 1.602 . . . . 0.0 111.143 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.72 10.9 71.98 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.68 -86.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.177 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 m -146.3 155.72 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -117.05 110.01 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 170.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -97.87 126.89 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.07 165.09 50.47 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.15 -129.45 4.79 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 p -162.09 162.97 19.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.209 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -56.06 -31.2 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.723 1.615 . . . . 0.0 111.218 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -76.53 -26.94 55.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.02 14.83 81.45 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -101.98 -4.14 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.59 70.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -115.88 120.97 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 111.207 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.45 144.44 48.79 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -150.36 40.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.318 . . . . 0.0 111.154 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.92 -26.75 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.13 -5.06 65.53 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -83.52 68.81 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.8 m -82.79 111.88 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 pt -122.76 157.66 59.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -170.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.16 163.09 39.02 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.644 1.562 . . . . 0.0 111.171 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 94.0 m -95.05 145.75 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -100.83 -7.0 24.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -172.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.1 p -79.07 -7.68 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -73.84 -26.85 60.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -117.84 -18.65 9.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -146.91 77.95 10.81 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.307 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -52.07 139.72 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.621 1.547 . . . . 0.0 111.22 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -116.66 140.58 49.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -90.06 147.09 23.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -113.67 105.65 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.85 179.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.267 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.3 m -54.87 118.06 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.07 -22.11 28.04 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 143.52 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.433 ' HG2' HG12 ' A' ' 103' ' ' ILE . 96.0 mtp -115.39 115.13 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.203 173.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -124.45 132.76 53.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.76 144.48 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.274 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.28 154.99 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.189 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -141.24 169.76 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -111.49 29.92 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.34 -175.7 21.01 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -65.18 131.48 46.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.38 40.81 30.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.245 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 96' ' ' THR . 39.1 m -135.74 49.29 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.96 142.32 25.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.1 p -108.34 -169.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 -176.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.7 p -82.8 -4.2 57.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -89.96 148.55 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -147.52 172.47 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -144.91 150.03 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.253 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 87' ' ' MET . 77.5 mt -107.08 120.86 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.5 t -80.3 132.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -113.23 -26.71 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.271 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -122.5 129.26 25.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -51.69 131.19 36.69 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.677 1.585 . . . . 0.0 111.201 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -134.67 99.95 12.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.7 -30.93 77.83 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.673 1.582 . . . . 0.0 111.229 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -69.91 -18.83 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.81 -14.84 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -62.36 123.65 18.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.03 82.34 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -94.57 -50.87 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.182 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -109.59 149.51 29.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.6 m -85.25 116.25 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.03 130.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -120.34 -13.06 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -171.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.9 -167.44 33.51 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -159.12 149.95 19.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.1 t -76.95 130.56 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.212 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.7 p -113.26 -21.06 11.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 -172.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -147.6 135.54 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.24 16.26 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.1 ttp -55.29 -40.02 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.72 -43.21 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.61 -47.15 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.68 -37.13 77.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.6 p -94.55 16.02 16.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -174.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 61.6 mtt -66.72 159.93 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -99.92 161.74 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.05 110.3 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.25 14.15 56.33 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -57.72 133.11 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.188 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.7 t -91.34 127.82 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 -168.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.7 mtm -87.05 137.16 32.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 170.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -93.94 -56.67 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.216 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.68 142.2 36.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.3 t -129.75 119.21 47.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.14 139.89 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.38 133.52 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.0 164.89 34.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.42 138.14 31.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.59 130.07 24.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 1 C--O 1.0 -11.412 0 C-N-CA 121.696 1.597 . . . . 0.0 111.193 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.26 166.21 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.267 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.5 137.1 49.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -137.9 177.22 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.43 -177.46 41.19 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -153.72 157.64 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.8 mt -118.24 110.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.95 115.23 22.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 174.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 97.0 mmm -82.66 155.41 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.95 -29.76 68.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -87.58 1.99 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.58 7.62 71.67 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.02 63.4 4.4 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -67.4 129.8 41.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.205 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 pt -115.97 153.12 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -125.07 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -145.96 161.6 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.63 162.32 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt -120.56 157.46 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -127.57 75.6 77.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.97 -19.39 58.0 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.642 1.561 . . . . 0.0 111.189 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.92 -22.8 59.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.229 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -103.67 -31.97 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.7 72.17 36.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.81 -51.18 10.93 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.666 1.578 . . . . 0.0 111.22 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.79 -50.83 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -171.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -42.0 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.85 -45.15 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.68 87.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -63.35 -45.86 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -57.3 -47.99 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.62 -48.47 79.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.27 -50.02 65.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.54 -49.68 72.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.34 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -79.81 0.87 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -106.54 4.26 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.266 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.42 17.17 69.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 172.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.63 -46.27 87.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' HA ' HD12 ' A' ' 43' ' ' LEU . 89.0 m-85 -84.24 -7.13 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -70.01 110.05 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.24 -8.9 49.43 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 40' ' ' TYR . 24.7 mt -82.29 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.177 176.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.4 p -121.23 168.83 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -171.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 73.5 m-85 -94.01 109.78 21.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -69.34 -41.15 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -139.96 91.36 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.58 112.5 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 54.1 mt -123.11 96.85 44.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 58.6 Cg_endo -68.37 139.81 46.57 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.667 1.578 . . . . 0.0 111.126 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.16 4.95 86.19 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -146.16 -96.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.238 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.27 128.82 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -98.17 106.22 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -98.6 132.54 43.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 -173.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 45' ' ' PHE . . . -75.34 167.48 54.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.04 -137.39 9.53 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.24 164.26 18.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.227 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.11 -30.85 72.61 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.704 1.602 . . . . 0.0 111.205 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -76.34 -23.61 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.176 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 14.86 80.55 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.04 -10.62 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.52 67.68 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -112.95 112.71 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.703 0.287 . . . . 0.0 111.203 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.07 146.87 45.28 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.09 42.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.207 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.94 55.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.14 -5.24 57.58 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.83 67.24 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -76.93 120.15 21.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.12 155.13 55.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.29 158.27 52.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.718 1.612 . . . . 0.0 111.171 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.0 m -91.76 139.03 31.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.34 -10.69 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.7 p -70.76 -16.26 62.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.191 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -68.18 -27.69 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -103.85 -30.64 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.203 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.29 90.98 3.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -53.18 135.71 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.715 1.61 . . . . 0.0 111.171 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -105.5 138.68 41.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.05 148.77 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -110.07 109.53 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.87 177.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.8 m -57.08 121.04 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 -22.56 32.74 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.28 143.23 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.6 ttm -116.59 117.27 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 44.1 t -125.39 135.32 52.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -167.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.0 tpp -76.52 133.17 39.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.39 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.257 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -141.57 169.85 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -112.81 30.16 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 137.58 -178.2 19.28 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -64.72 132.43 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.21 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 52.45 36.94 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 96' ' ' THR . 36.8 m -133.09 48.7 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.27 142.75 26.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -109.36 -169.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.135 -177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.37 -15.2 58.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -75.77 143.57 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.69 169.9 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.57 148.84 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.8 mt -104.96 121.15 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.43 132.8 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.53 -32.37 6.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -115.4 128.02 26.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 173.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.6 140.42 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.635 1.556 . . . . 0.0 111.289 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -129.34 89.69 46.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -56.98 -31.54 90.19 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.757 1.638 . . . . 0.0 111.225 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -77.38 -9.95 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.23 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.63 2.85 52.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.234 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.31 108.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.72 2.73 81.41 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.7 t -87.52 -55.0 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -108.75 151.06 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.3 m -87.0 108.92 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.5 t -74.04 127.03 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 170.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -126.76 -14.69 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -171.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -152.66 -176.41 25.21 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -159.89 129.92 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.49 129.37 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 82.7 p -113.75 -20.71 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -148.46 136.12 20.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.04 60.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -56.18 -37.78 70.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.703 0.287 . . . . 0.0 111.111 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.238 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.88 -42.31 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.47 -46.97 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.54 -29.95 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.6 p -96.64 8.11 44.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.215 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 64.0 mtt -66.58 156.08 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.54 161.2 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.233 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.93 115.85 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.09 9.5 60.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -59.98 130.17 45.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 111.197 175.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.2 t -90.47 135.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -168.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.9 mtm -88.34 124.65 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -79.52 -43.27 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -175.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.84 149.2 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.17 122.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -123.73 140.19 53.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -172.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.5 t -128.13 139.54 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -148.98 168.39 23.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -100.59 147.26 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.25 133.76 10.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 1 C--O 1.0 -11.424 0 C-N-CA 121.676 1.584 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.1 163.11 13.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.62 130.03 37.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -143.56 134.31 25.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.59 18.68 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -148.53 146.65 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 111.185 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.62 110.11 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -87.39 121.82 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 172.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mmm -90.59 153.82 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.92 -21.61 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -88.69 4.63 46.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.58 4.62 67.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.52 144.95 44.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -128.9 96.39 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.716 0.294 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -94.32 103.63 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -103.8 128.05 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.2 p90 -144.72 151.11 38.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -107.3 147.74 29.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.9 mt -109.27 158.83 17.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -119.79 82.3 27.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.97 -5.98 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.726 1.617 . . . . 0.0 111.185 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.49 -16.82 25.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -107.44 -29.28 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.24 71.31 3.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.23 -31.76 89.94 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.7 1.6 . . . . 0.0 111.128 -174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.83 -49.17 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -69.86 -36.46 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.253 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.67 -43.88 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.78 94.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -50.63 -63.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.77 -51.85 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -61.8 -48.66 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.21 -48.22 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.77 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -74.5 -16.67 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.73 1.62 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.8 70.19 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.99 -56.45 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.729 0.299 . . . . 0.0 111.181 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -68.89 -29.01 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.203 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -57.61 110.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 -22.93 17.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -81.14 168.05 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.0 p -125.31 175.13 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -169.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -98.94 100.15 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.404 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 31.8 p-80 -80.65 -17.64 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 -166.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 90.2 mmt-85 -139.61 84.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -94.44 127.22 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -124.92 91.27 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.25 130.82 39.64 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.681 1.588 . . . . 0.0 111.219 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -8.33 67.98 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -129.9 -90.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.212 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.7 133.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -175.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.2 p -102.38 152.81 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -124.25 140.17 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.94 -177.5 34.1 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.84 40.77 9.23 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -119.12 140.68 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.199 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.43 -20.34 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.646 1.564 . . . . 0.0 111.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -101.28 -49.97 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.194 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.99 36.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -107.22 7.12 29.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.01 -22.34 27.74 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.0 p -121.24 -37.47 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.66 -173.74 52.78 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -150.21 42.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.227 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.1 -42.69 68.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 16.75 80.49 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -75.55 150.01 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.72 0.295 . . . . 0.0 111.238 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 p -127.01 58.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.229 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.59 124.82 89.99 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.212 -173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.17 149.06 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.688 1.592 . . . . 0.0 111.194 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 87.2 m -102.37 95.02 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.205 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.93 146.81 54.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.2 p -125.02 -9.54 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -106.81 146.57 30.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -84.94 -33.32 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 0.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -169.71 90.26 0.55 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.67 151.22 10.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.686 1.591 . . . . 0.0 111.202 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.07 -171.26 2.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -109.64 151.77 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -76.81 69.93 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.9 -165.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.8 m -51.23 113.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.252 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.37 -9.61 69.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.08 145.92 34.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -173.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.2 mtp -127.28 116.47 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.233 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 85.2 p -116.65 168.93 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -177.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 62.9 tpp -114.92 129.84 56.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.31 154.93 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -141.36 166.29 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -120.05 40.02 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.83 -167.99 22.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -69.96 130.0 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 50.54 43.63 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 96' ' ' THR . 38.8 m -139.69 61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.15 152.29 36.15 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 p -115.6 -163.15 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.251 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.82 -16.39 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -69.85 127.04 31.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.221 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -134.78 163.82 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -171.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -109.81 153.12 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.165 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.7 mt -125.3 109.67 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 158.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.28 134.33 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -174.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -100.02 -40.27 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.97 151.3 78.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -49.96 137.23 36.3 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.739 1.626 . . . . 0.0 111.191 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -129.99 98.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.38 -25.51 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.726 1.618 . . . . 0.0 111.215 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.82 -19.55 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.99 110.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.235 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.17 4.79 68.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.81 -50.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -118.47 -179.36 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -109.35 122.72 47.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 84.2 t -80.53 131.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -126.11 -12.43 6.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 -173.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -151.91 179.04 28.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.33 130.16 7.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 85.3 t -65.06 134.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -116.76 -21.91 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -152.29 145.14 24.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.33 20.4 35.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.51 -33.13 72.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.73 -40.59 95.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.05 -42.42 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.81 -46.45 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.2 p -95.11 14.65 21.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.95 140.94 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -111.2 152.54 26.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -65.03 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.62 2.91 64.9 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.96 139.43 57.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.36 132.33 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -171.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.3 mtm -81.08 100.66 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.54 -48.91 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -150.12 112.12 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.28 121.48 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -146.97 151.66 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.07 138.98 52.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -136.27 170.12 16.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.199 -171.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -96.44 133.71 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -128.96 129.93 23.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 1 C--O 1.0 -11.409 0 C-N-CA 121.701 1.601 . . . . 0.0 111.214 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.9 149.79 49.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -100.06 125.53 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -136.35 129.91 32.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.69 159.1 14.63 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -140.51 128.35 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.315 . . . . 0.0 111.237 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -113.62 115.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp -90.32 119.94 31.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 168.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -86.47 154.9 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.49 -4.34 26.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.262 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -96.85 4.82 51.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.44 6.93 70.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.86 136.41 33.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -116.14 94.78 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.69 111.88 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 37.6 p90 -147.17 151.92 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 -175.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.95 154.0 18.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -110.01 150.98 27.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.225 -179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.73 77.87 73.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.88 -15.7 49.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.702 1.601 . . . . 0.0 111.248 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.16 -22.85 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.44 -39.97 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.51 86.07 5.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.3 -48.37 22.12 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.736 1.624 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.95 -49.73 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.0 m -61.86 -43.79 98.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.246 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.84 -45.32 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.96 85.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.81 -49.14 78.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.24 -49.3 77.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.59 -50.6 71.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.3 -49.16 78.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.89 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.91 -17.31 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -84.49 -4.12 58.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.68 61.49 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.08 -58.69 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.169 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 43' ' ' LEU . 63.0 m-85 -69.66 -26.62 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.235 -176.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.41 110.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.263 173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.32 -6.04 36.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.5 mt -88.65 163.44 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 p -123.3 170.05 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' HA ' ' CA ' ' A' ' 56' ' ' GLY . 75.0 m-85 -94.57 107.67 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 174.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -73.38 -19.5 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.191 -167.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -159.75 91.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -91.34 119.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.235 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.19 91.09 47.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.93 130.08 38.72 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.765 1.643 . . . . 0.0 111.173 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.87 5.13 68.69 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 53' ' ' VAL . 16.7 t80 -139.97 -93.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 174.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 52' ' ' PHE . 18.4 m -139.99 155.17 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 173.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -111.92 103.0 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -89.87 139.78 30.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 45' ' ' PHE . . . -161.35 178.38 37.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.68 20.99 4.81 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -114.45 140.7 25.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.45 -20.23 12.54 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.672 1.581 . . . . 0.0 111.288 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -119.84 -20.03 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.291 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.46 28.91 51.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -104.48 6.81 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.44 -5.14 67.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -112.48 120.46 41.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.96 174.12 53.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -103.27 29.76 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.253 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.2 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.17 -0.8 88.87 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.07 176.31 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.224 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.4 m -92.28 137.86 32.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.2 pt -119.11 156.58 52.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.37 140.72 19.63 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.683 1.589 . . . . 0.0 111.123 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 70.7 m -128.79 141.26 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -104.61 120.49 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -172.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -100.54 -16.15 17.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.259 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -103.91 150.93 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -100.11 -20.12 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 3.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.23 125.38 86.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -54.78 156.5 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -120.05 100.31 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.19 -29.43 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -169.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.8 m80 55.67 74.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -174.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.08 178.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -55.21 119.57 5.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.07 -16.9 57.85 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.59 147.74 48.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.7 mtp -120.6 126.78 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -136.36 138.11 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -169.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.3 mtp -89.94 145.47 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.29 134.31 34.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -151.89 169.97 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 175.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.86 37.77 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.75 171.86 12.34 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -70.05 133.83 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.218 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 58.76 30.82 20.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.244 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -153.04 78.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.79 -174.72 16.28 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.0 p -119.93 178.45 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 111.213 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 82.3 m -77.85 -7.29 56.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.34 148.79 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -141.74 176.66 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.3 150.0 24.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.76 127.86 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.19 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.0 t -81.89 129.89 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -92.91 -41.62 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -127.08 150.11 71.22 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -53.67 127.38 25.2 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.685 1.59 . . . . 0.0 111.228 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -136.25 82.99 33.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.272 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.19 -25.28 63.56 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.678 1.585 . . . . 0.0 111.231 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -64.63 -21.09 66.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.83 -11.59 55.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.58 107.37 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.96 -15.77 57.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.08 -43.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.245 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.01 174.51 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.2 173.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.6 m -119.54 109.89 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.52 133.24 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 169.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.4 -17.78 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.226 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.3 -173.21 29.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -157.86 131.61 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 86.1 t -65.48 133.21 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.201 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.3 p -115.93 -21.85 9.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.5 t -151.41 140.04 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.224 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.28 17.19 47.45 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.1 tpt -58.11 -30.79 66.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.204 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.68 -45.45 92.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.24 -41.86 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.4 t -58.03 -48.4 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.61 -30.18 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 -176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -98.51 20.95 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 55.0 mtt -64.88 156.01 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -123.43 159.45 28.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -69.78 102.64 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.1 31.18 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.21 146.69 32.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.83 130.71 61.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -165.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -85.52 103.87 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.85 -47.9 76.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -150.08 112.12 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.84 132.98 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -161.16 152.35 18.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.6 t -131.48 137.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.78 166.41 16.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -99.93 80.07 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.02 128.27 91.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 1 C--O 1.0 -11.413 0 C-N-CA 121.724 1.616 . . . . 0.0 111.182 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.835 0.35 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.26 162.73 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -145.84 171.34 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -152.52 173.09 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.71 -172.18 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.52 149.88 22.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -97.52 123.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 tp -92.34 118.28 30.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 170.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mmm -89.15 154.24 20.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.23 -19.35 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.213 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -88.32 -1.35 57.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.96 -0.76 64.69 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.41 53.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.61 125.99 33.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.227 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -119.17 101.39 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.226 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -91.83 135.93 33.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -145.83 152.26 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.209 -173.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -95.32 160.64 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.06 155.27 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -122.65 77.49 47.35 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.71 -14.14 32.83 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.786 1.657 . . . . 0.0 111.139 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -90.09 -6.2 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -113.91 -34.76 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.51 71.47 14.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.193 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.05 -30.76 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.714 1.609 . . . . 0.0 111.182 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.08 -17.76 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.229 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.8 m -102.87 -44.03 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.9 -40.18 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.01 82.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.253 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -70.06 -37.67 75.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.1 -52.13 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 175.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -57.79 -49.92 74.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.43 -56.98 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.13 -41.83 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.4 56.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.17 -23.9 59.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.45 6.06 32.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.6 18.65 67.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 166.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.97 -20.77 44.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.252 176.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -100.03 23.9 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.239 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -94.81 115.73 27.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.3 19.9 47.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.91 145.04 54.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -113.54 143.79 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HA ' ' HA3' ' A' ' 56' ' ' GLY . 49.5 m-85 -81.63 157.1 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -120.01 -47.71 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -170.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -137.39 89.03 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.07 113.02 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 84.6 mt -118.12 105.1 47.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.268 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -52.41 123.08 11.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.647 1.565 . . . . 0.0 111.198 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 10.9 64.03 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -139.99 -92.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 111.221 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -141.23 130.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.213 -173.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.6 p -96.82 74.12 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 175.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 102' ' ' PHE . 28.5 tt0 -82.45 125.76 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 -174.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 45' ' ' PHE . . . -179.08 -148.77 7.88 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.09 38.09 11.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 52.9 t -108.76 137.27 20.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 92.4 Cg_exo -54.73 -33.32 79.91 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.656 1.571 . . . . 0.0 111.215 -177.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -113.9 -19.75 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -174.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.03 65.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -100.09 4.04 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.71 0.72 83.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -116.01 110.64 19.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.71 110.91 3.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -107.87 15.52 24.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.856 0.36 . . . . 0.0 111.248 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.34 72.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.227 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.11 14.22 59.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -120.05 140.25 51.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.3 m -125.88 138.13 53.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.3 mt -118.62 131.49 24.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -76.65 166.42 27.22 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.726 1.618 . . . . 0.0 111.174 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.6 93.63 7.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -49.93 110.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -103.14 88.34 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -148.04 -147.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.257 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.94 -29.93 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.197 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -50.0 110.48 1.65 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -61.12 -27.6 84.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.684 1.589 . . . . 0.0 111.184 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 55.28 45.2 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -70.66 118.64 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -99.97 82.77 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 27.8 m -125.23 -176.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 177.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 m -47.71 116.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.11 -26.98 13.54 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.51 138.41 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 111.222 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 57.2 ttm -115.55 122.96 47.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.272 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -139.22 144.67 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -167.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.29 155.39 36.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.217 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.9 110.42 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 97' ' ' GLY . 66.0 m-70 -102.97 142.61 33.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -133.53 49.96 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.95 172.03 13.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -59.42 119.71 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 111.268 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 51.85 30.93 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 96' ' ' THR . 75.5 m -116.34 65.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' HIS . . . -91.82 132.96 11.53 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 173.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -86.83 -170.81 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.5 p -75.56 -9.32 58.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -79.91 150.05 30.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.01 172.95 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.274 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 55' ' ' GLN . 55.1 p90 -148.15 150.59 34.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.176 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.29 133.07 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 173.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.77 130.13 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -93.27 -32.11 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -140.04 152.23 67.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 86.9 Cg_exo -49.56 117.32 2.88 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 121.739 1.626 . . . . 0.0 111.187 176.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -121.5 101.6 43.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.34 -25.5 65.82 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.682 1.588 . . . . 0.0 111.232 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -82.14 -5.6 58.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.73 -23.61 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -55.79 112.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.08 5.2 86.12 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.14 -45.2 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 111.198 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -109.09 -170.92 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.5 m -106.98 111.04 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.25 128.54 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -132.05 -14.92 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -170.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.71 27.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.25 128.07 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.03 132.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.255 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.2 p -114.91 -22.89 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 t -156.62 140.26 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.87 13.13 57.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.5 tpt -57.7 -29.9 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.232 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.73 -38.65 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.224 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.42 -50.15 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.203 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -75.23 -22.58 57.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 -173.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.3 p -99.21 11.49 38.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 60.1 ttm -64.44 145.4 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.71 150.14 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -71.16 112.6 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.212 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 117.41 -1.85 18.51 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -58.78 153.69 16.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.0 129.47 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.233 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 77.6 mtm -83.34 100.0 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -48.8 -46.19 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -168.35 132.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.249 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.88 128.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.187 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.65 140.35 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.75 134.7 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -132.79 149.7 52.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.12 75.14 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.204 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.11 100.06 27.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 1 C--O 1.0 -11.423 0 C-N-CA 121.667 1.578 . . . . 0.0 111.173 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.61 140.97 33.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.52 149.26 36.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -159.56 153.51 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.38 140.61 11.86 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -172.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -112.85 136.42 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.54 106.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.01 123.51 32.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 171.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 98.0 mmm -91.44 153.47 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.0 -20.64 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -94.11 12.09 27.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.63 5.09 67.12 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 172.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.16 157.97 53.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -148.77 100.91 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.143 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.3 mt -98.11 117.83 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -112.6 125.23 54.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 43.3 p90 -142.9 151.64 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -174.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.08 161.55 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.3 mt -120.18 154.73 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.77 75.48 64.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.23 -15.14 45.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.719 1.613 . . . . 0.0 111.202 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.73 -25.97 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.06 -19.72 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.13 72.58 22.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.46 -53.93 5.78 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.65 1.567 . . . . 0.0 111.201 -175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.67 -49.54 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.235 -171.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -58.17 -49.53 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.186 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.44 -43.37 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.2 73.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.71 -40.94 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.261 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -55.03 -49.8 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.23 -49.93 75.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.52 -41.58 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.98 -50.18 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.09 86.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -79.69 -4.08 50.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -103.32 5.46 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 171.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.42 70.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -70.09 -56.27 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.204 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -73.16 -20.43 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -70.17 86.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.25 15.74 3.01 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 170.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.36 166.77 20.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.184 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 m -112.02 150.4 30.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.66 106.57 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -67.56 -39.85 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.258 -172.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -140.06 89.97 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -78.78 107.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.0 mt -130.35 86.46 53.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.87 140.68 42.86 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.618 . . . . 0.0 111.227 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.35 73.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -134.4 -102.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.9 t -140.29 119.7 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 t -93.41 119.15 32.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -96.94 126.09 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.59 165.01 31.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.53 29.14 2.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.6 m -97.38 140.21 21.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.76 -15.41 13.49 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.663 1.575 . . . . 0.0 111.205 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -134.45 -5.73 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.31 19.24 79.87 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -99.99 -1.8 36.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 111.177 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.35 3.02 82.24 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -127.15 162.44 26.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 111.187 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.75 162.54 13.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -144.36 -162.53 1.5 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.746 0.308 . . . . 0.0 111.19 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.69 15.84 22.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.21 5.07 76.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -166.33 174.91 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -121.91 160.05 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 pt -127.14 154.5 76.76 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.49 154.4 68.85 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.721 1.614 . . . . 0.0 111.155 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.43 137.64 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -126.73 64.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.6 p -115.69 -19.92 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -54.98 -41.44 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.72 41.81 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -122.34 100.19 42.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.53 -25.3 75.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.726 1.618 . . . . 0.0 111.158 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.49 138.72 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -119.04 166.52 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -82.63 73.65 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -119.69 -174.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -51.46 117.61 2.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.73 -28.33 11.62 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.41 138.93 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 -170.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 52.8 ttm -119.73 119.92 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 171.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 39.3 t -124.4 133.89 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -168.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.2 tpp -77.16 128.9 35.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.31 151.55 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.165 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -140.02 169.73 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -114.84 31.44 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.06 -173.41 21.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -59.95 123.35 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 111.272 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 54.72 40.1 31.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.217 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.587 ' O ' HG22 ' A' ' 96' ' ' THR . 47.3 m -132.13 50.95 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.97 154.91 51.02 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -116.56 -127.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.177 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 17.9 p -133.18 -11.95 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -72.68 155.64 39.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -145.01 156.36 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -109.26 131.41 55.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -97.09 105.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.206 166.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.88 126.91 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -109.78 -25.44 10.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 175.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -129.11 133.13 24.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 173.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.27 131.16 17.98 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.697 1.598 . . . . 0.0 111.191 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.38 99.9 26.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -173.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.18 -36.04 84.49 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.758 1.639 . . . . 0.0 111.22 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.05 -19.94 64.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.4 mt -113.54 -2.44 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -65.07 104.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.12 5.06 86.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -79.06 -53.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -98.45 -179.83 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 m -100.79 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 89.4 t -70.74 118.73 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.236 173.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -124.57 -13.44 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 -170.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.72 179.15 24.83 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -156.13 126.93 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 96.8 t -67.44 129.9 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.1 p -115.19 -20.02 10.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.0 t -155.01 146.74 23.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 81.27 23.11 59.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 ptm -67.99 -19.99 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -92.59 4.94 52.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.68 -44.6 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.215 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.02 -31.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.3 p -96.41 -20.82 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 39.0 mmt -71.1 149.97 45.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.227 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -104.59 161.84 13.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -65.28 134.87 54.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.62 10.77 69.65 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.85 147.31 53.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.218 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.87 144.24 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 140' ' ' VAL . 62.3 mtt -73.01 148.85 43.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -103.41 -49.49 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -150.02 112.04 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.428 HG21 ' SD ' ' A' ' 137' ' ' MET . 63.7 t -118.15 127.16 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -144.85 149.85 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.8 t -129.94 139.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -149.99 163.9 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -100.98 113.98 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -90.12 123.4 65.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 1 C--O 1.0 -11.399 0 C-N-CA 121.755 1.636 . . . . 0.0 111.211 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.774 0.321 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.97 154.97 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.11 178.59 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -137.24 138.73 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.232 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.03 151.88 17.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -126.9 128.24 46.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.01 117.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 170.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.8 tp -102.64 123.65 46.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.1 mmm -88.87 148.9 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.216 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -64.11 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.05 -11.38 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -4.68 50.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 155.79 50.43 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -130.04 130.02 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.218 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.1 mt -120.54 110.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.224 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -113.54 128.85 56.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 28.0 p90 -144.34 150.39 37.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.203 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.73 153.59 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -110.37 144.85 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.208 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -130.4 82.05 66.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.92 -14.99 48.2 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.672 1.581 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.45 -24.39 61.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -89.67 -41.74 11.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.42 90.27 4.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.24 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.31 -56.32 2.62 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.668 1.578 . . . . 0.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.89 -40.16 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -64.37 -45.89 85.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.64 -44.36 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 175.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.89 78.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.81 -46.59 87.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -56.54 -46.71 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.243 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.27 -49.72 76.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.266 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.9 -41.02 90.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.67 -49.87 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.46 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.256 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.42 5.03 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.28 5.17 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 167.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.58 22.4 69.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -68.81 -56.45 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -71.02 -21.63 62.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -57.02 110.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.46 -5.24 35.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.06 151.67 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.18 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -113.91 166.67 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.01 106.04 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 172.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -77.75 -16.82 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -148.8 76.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.53 120.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.15 96.08 29.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.63 139.87 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.662 1.574 . . . . 0.0 111.215 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.93 -11.89 70.15 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -131.82 -91.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.179 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.82 129.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -93.14 126.79 38.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.29 130.94 53.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.9 -176.33 26.16 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.57 23.53 4.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 72.1 m -110.62 127.99 26.07 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 58' ' ' CYS . 67.8 Cg_exo -58.94 -34.22 99.03 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.675 1.583 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.5 -18.91 12.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.88 23.42 61.89 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -100.05 5.17 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 111.198 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.81 3.19 74.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -116.07 118.36 32.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 111.203 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.57 177.26 52.58 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -143.22 80.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.215 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.28 155.01 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.41 30.88 9.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -119.9 143.67 47.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -120.65 159.99 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.5 100.01 52.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.39 144.48 96.34 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.722 1.614 . . . . 0.0 111.176 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.4 t -72.5 102.38 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.86 142.9 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.1 p -125.07 -23.7 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -109.96 149.91 29.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -97.45 -30.0 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 3.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -97.28 150.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.31 175.16 11.67 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.705 1.603 . . . . 0.0 111.207 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -106.27 141.19 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.92 96.28 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 -176.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -73.95 71.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 107' ' ' PRO . 34.2 m -106.58 -173.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -53.55 117.18 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.0 -22.82 37.89 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.11 139.42 52.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.226 -170.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.6 mtp -123.28 130.36 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.5 p -136.63 164.6 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 69.3 mtp -114.54 143.97 44.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.19 135.08 47.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -149.99 165.54 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -138.62 27.93 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.89 -171.27 21.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.55 133.91 52.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 53.27 30.12 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.5 m -142.17 119.89 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.221 -177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.42 -161.49 32.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.0 p -142.2 -179.88 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 0.0 111.174 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.4 p -83.58 -9.81 58.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.22 147.46 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.63 170.02 16.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -173.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -126.94 144.02 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.6 mt -119.31 111.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 167.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.13 139.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -170.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.49 -40.19 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.191 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -131.18 158.68 74.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.238 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 83' ' ' VAL . 89.6 Cg_exo -49.83 119.49 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.642 1.561 . . . . 0.0 111.168 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.424 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 96.9 mm-40 -121.28 89.03 46.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 177.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 108' ' ' GLN . 52.7 Cg_endo -65.07 -20.0 63.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.655 1.57 . . . . 0.0 111.286 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.0 mt -106.42 0.75 25.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -65.66 100.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.26 -4.84 65.04 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.95 -44.23 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -117.78 169.86 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.9 m -97.92 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.2 132.54 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -128.08 -16.65 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.24 -177.89 33.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -158.38 129.28 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.515 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 88.8 t -64.63 130.94 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.6 p -118.57 -18.82 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.8 t -145.01 142.95 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.264 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.19 15.46 51.33 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.05 -30.1 68.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 111.172 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -57.04 -33.81 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.0 t -79.84 -46.0 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 -43.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -78.28 -10.0 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -115.48 17.64 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 96.7 mtp -67.82 155.37 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.83 152.4 47.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -65.11 127.04 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.78 -4.99 42.8 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -59.6 145.07 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.266 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.3 p -123.6 140.31 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.199 -173.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.8 mtm -81.76 104.86 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.89 -43.61 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -161.21 153.85 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 173.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.0 t -136.81 129.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.34 160.95 37.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.2 t -134.85 133.48 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.09 151.42 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -76.25 77.29 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -123.51 91.32 49.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 1 C--O 1.0 -11.414 0 C-N-CA 121.689 1.592 . . . . 0.0 111.214 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.13 144.89 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -93.52 144.54 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -135.55 164.76 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.63 160.29 23.73 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -143.06 130.66 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 111.175 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -117.34 111.1 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 tp -90.63 129.91 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 168.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.8 mtt -101.12 154.42 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -60.0 -27.9 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.7 4.89 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.32 -0.89 62.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.66 138.5 44.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.85 96.37 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 0.0 111.257 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -100.65 124.66 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.55 133.16 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' A' ' 121' ' ' VAL . 40.7 p90 -144.09 158.23 43.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -173.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.03 155.68 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.5 mt -113.19 146.87 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.229 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -129.93 83.6 63.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 -174.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.53 -30.33 53.85 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.73 1.62 . . . . 0.0 111.173 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.4 -32.26 72.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.12 -40.31 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.05 87.83 5.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.15 -51.7 9.56 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.683 1.589 . . . . 0.0 111.215 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.37 -41.81 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 m -60.87 -46.56 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.5 -44.96 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.0 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -68.54 -40.73 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -60.32 -47.16 87.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -56.76 -48.71 77.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -50.87 -53.39 32.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.16 -50.55 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 -176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.84 92.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.203 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -83.65 4.49 28.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -174.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -107.65 6.13 27.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.249 168.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.04 20.92 72.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.03 -56.48 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' HD12 ' A' ' 43' ' ' LEU . 60.7 m-85 -74.01 -23.8 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -61.38 110.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.08 -10.0 36.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 40' ' ' TYR . 44.2 mt -85.56 166.39 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.259 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -119.63 -169.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -105.16 153.42 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.276 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -92.54 -80.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -99.69 107.42 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.3 t -102.3 123.91 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.9 90.08 43.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -62.46 129.87 28.14 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.703 1.602 . . . . 0.0 111.224 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.87 5.04 78.15 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -132.63 -86.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.251 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.26 130.08 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -118.98 147.08 44.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -110.69 135.31 51.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 164.05 40.59 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.23 -148.37 19.8 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 31.0 p -151.75 157.92 34.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.225 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 58' ' ' CYS . 55.6 Cg_endo -69.29 -20.28 37.25 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.173 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -73.49 -28.52 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.222 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.95 15.38 81.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.84 -10.26 21.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -4.98 68.27 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -104.43 110.83 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.213 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.63 138.32 48.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -150.32 96.66 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.139 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.04 -2.73 58.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.24 71.74 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -168.06 178.95 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -119.37 158.49 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.96 115.55 40.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.69 137.16 42.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.713 1.609 . . . . 0.0 111.259 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 46.4 t -73.58 123.45 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.26 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -104.47 4.65 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.5 m -64.19 -36.9 85.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.02 -33.33 73.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.18 -32.82 59.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -144.58 90.0 6.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.01 143.11 74.79 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -157.69 179.86 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -172.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -126.87 146.49 50.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.21 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.68 80.3 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.69 -164.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -51.83 116.43 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.31 -11.39 68.98 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 136.99 47.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 59.7 ttm -120.23 118.78 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 117' ' ' VAL . 94.8 p -125.33 151.02 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 -172.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 61.3 tpp -89.87 133.27 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.269 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.38 130.31 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.497 ' HB3' ' HA2' ' A' ' 97' ' ' GLY . 31.0 p80 -159.35 -177.46 6.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 171.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.42 31.94 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 135.35 -168.44 23.79 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.98 119.8 14.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 111.227 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.0 t0 69.91 41.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 p -130.62 26.51 5.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.231 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 91' ' ' HIS . . . -75.48 154.32 45.61 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -171.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -117.04 -171.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 174.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.9 p -81.06 -10.1 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.262 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -85.65 149.49 25.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -148.94 154.01 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -101.63 127.25 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.1 mt -96.99 110.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 168.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.39 124.7 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -95.01 -50.0 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -106.56 150.15 39.23 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.2 130.47 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.585 1.524 . . . . 0.0 111.237 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.98 90.09 43.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.25 53.86 4.7 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.678 1.585 . . . . 0.0 111.182 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.71 -23.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.5 2.66 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.92 110.51 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.97 -8.28 70.23 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.52 -40.61 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -127.12 179.17 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -123.71 109.67 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.282 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 70.9 t -67.49 130.14 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 175.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -128.36 -11.88 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -150.96 -176.73 24.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -158.56 127.45 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 111.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.487 ' HA ' ' HB3' ' A' ' 17' ' ' PHE . 90.2 t -67.47 133.28 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.6 p -117.68 -21.9 8.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.6 t -147.99 148.53 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.94 15.37 52.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 96.8 mtp -61.41 -28.56 69.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.219 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.29 -28.42 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.43 -43.0 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 176.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.77 -47.35 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -68.81 -11.13 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.8 p -118.64 19.67 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.5 ttm -58.06 132.91 54.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -80.11 154.45 28.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -66.98 107.77 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 31.01 55.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -172.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -50.08 120.12 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.61 122.85 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 73.5 mtm -85.6 113.37 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.07 -40.76 37.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -170.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -152.35 109.58 3.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.85 129.81 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.04 159.5 43.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -129.75 139.79 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -142.85 172.57 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -116.05 124.17 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -132.77 130.96 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 1 C--O 1.001 -11.351 0 C-N-CA 121.732 1.621 . . . . 0.0 111.194 178.713 . . . . . . . . 1 1 . 1 stop_ save_